SCHEMBL912017

SCHEMBL912017

c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.53
CCR8 P51685 4/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.48
HSP90AA1 P07900 2/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CCR5 P51681 2/20 0.48
MMP2 P08253 2/20 0.48
TSHR P16473 2/20 0.48
NQO2 P16083 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31036114 1.00 CCR1 (0.53) CCR1CCR8L3MBTL1LMNAALDH1A1
SCHEMBL13286604 0.91 DHFR (0.53) CCR1CCR8L3MBTL1LMNAALDH1A1
SCHEMBL30022928 0.91 DHFR (0.53) CCR1CCR8L3MBTL1LMNAALDH1A1
SCHEMBL30185058 0.85 L3MBTL1 (0.54) CCR1CCR8L3MBTL1LMNAALDH1A1
SCHEMBL166826 0.85 L3MBTL1 (0.54) CCR1CCR8L3MBTL1LMNAALDH1A1
SCHEMBL29390114 0.85 L3MBTL1 (0.54) CCR1CCR8L3MBTL1LMNAALDH1A1
SCHEMBL30185055 0.85 L3MBTL1 (0.54) CCR1CCR8L3MBTL1LMNAALDH1A1
SCHEMBL21298335 0.84 CYP3A4 (0.50) CCR1CCR8L3MBTL1LMNAALDH1A1
SCHEMBL19443841 0.83 NQO2 (0.41) CCR1CCR8L3MBTL1LMNAALDH1A1
Hydrochloric Acid SCHEMBL5931379 0.83 L3MBTL1 (0.52) CCR1CCR8L3MBTL1LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080482-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING OCTAHEDRAL METAL (III) POLYPYRIDYL COMPLEXES AND THEIR USE IN PREVENTION AND TREATMENT OF CANCER FREIE UNIVERSITÄT BERLIN (DE) 2009-07-02 WO claimed
EP-2072521-A1 Octahedral metal (III) polypyridyl complexes and their use in prevention and treatment of cancer Freie Universität Berlin (DE) 2009-06-24 EP claimed
US-12311190-B2 Apparatus and method for irradiating inside an object Theralase Technologies Inc. (CA) 2025-05-27 US disclosed
WO-2024105603-A1 A RUTHENIUM (II) POLYPYRIDYL COMPLEX AS A PHOTO-SENSITISER IN PHOTODYNAMIC THERAPY, AND A PROCEDURE FOR MAKING SAID RUTHENIUM (II) POLYPYRIDYL COMPLEX UNIVERSITÀ DEGLI STUDI DI FIRENZE (IT) 2024-05-23 WO disclosed
US-20220363984-A1 PHOTO-RESPONSIVE COORDINATION COMPOUNDS WITH PHOTO-CONTROLLABLE ELECTRON-TRANSPORTING AND ELECTRICAL CONDUCTING PROPERTIES, AND FABRICATION OF ORGANIC ELECTRONICS AND ORGANIC RESISTIVE MEMORY DEVICES WITH PHOTO-SWITCHABLE PERFORMANCE THE UNIVERSITY OF HONG KONG (CN) 2022-11-17 US disclosed
US-20220062654-A1 APPARATUS AND METHOD FOR IRRADIATING INSIDE AN OBJECT Theralase Technologies Inc. (CA) 2022-03-03 US disclosed
EP-2976347-B1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (US) 2022-01-19 EP disclosed
US-10781226-B2 Photoactivatable cancer prodrug TEXAS STATE UNIVERSITY (US) 2020-09-22 US disclosed
US-10766915-B2 Metal-based coordination complexes as photodynamic compounds and their use MCFARLAND SHERRI ANN (CA) 2020-09-08 US disclosed
US-20200239503-A1 PHOTOACTIVATABLE CANCER PRODRUG TEXAS STATE UNIVERSITY 2020-07-30 US disclosed
US-10335608-B2 Photodynamic compounds and methods for activating them using ionizing radiation and/or other electromagnetic radiation for therapy and/or diagnostics THERALASE TECHNOLOGIES, INC. (CA) 2019-07-02 US disclosed
US-20140148425-A1 LIGHT INDUCED DRUG RELEASE UNIVERSITEIT LEIDEN (NL) 2014-05-29 US disclosed
US-20140148425-A1 LIGHT INDUCED DRUG RELEASE UNIVERSITEIT LEIDEN (NL) 2014-05-29 US disclosed
US-8372977-B2 Luminescent gold(III) compounds containing bidentate ligand for organic light-emitting devices and their preparation THE UNIVERSITY OF HONG KONG (CN) 2013-02-12 US disclosed
WO-2012052821-A1 LIGHT INDUCED DRUG RELEASE UNIVERSITEIT LEIDEN (NL) 2012-04-26 WO disclosed
US-20110012093-A1 LUMINESCENT GOLD(III) COMPOUNDS CONTAINING BIDENTATE LIGAND FOR ORGANIC LIGHT-EMITTING DEVICES AND THEIR PREPARATION THE UNIVERSITY OF HONG KONG (CN) 2011-01-20 US disclosed
WO-2009080482-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING OCTAHEDRAL METAL (III) POLYPYRIDYL COMPLEXES AND THEIR USE IN PREVENTION AND TREATMENT OF CANCER FREIE UNIVERSITÄT BERLIN (DE) 2009-07-02 WO disclosed
EP-2072521-A1 Octahedral metal (III) polypyridyl complexes and their use in prevention and treatment of cancer Freie Universität Berlin (DE) 2009-06-24 EP disclosed
EP-2072521-A1 Octahedral metal (III) polypyridyl complexes and their use in prevention and treatment of cancer Freie Universität Berlin (DE) 2009-06-24 EP disclosed
EP-1019401-B1 COMPLEX COMPRISING A RARE-EARTH METAL ION AND A COMPLEXING MOIETY KONINKL PHILIPS ELECTRONICS NV (NL) 2008-01-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140148425-A1 LIGHT INDUCED DRUG RELEASE IK, MC1R, SUCNR1 CCR1 4209/4885CCR8 4618/4885L3MBTL1 1626/4885
US-10781226-B2 Photoactivatable cancer prodrug UGT1A7, DCPS, PPOX CCR1 4203/4885CCR8 2921/4885L3MBTL1 1939/4885
US-20220363984-A1 PHOTO-RESPONSIVE COORDINATION COMPOUNDS WITH PHOTO-CONTROLLABLE ELECTRON-TRANSPORTING AND ELECTRICAL CONDUCTING PROPERTIES, AND FABRICATION OF ORGANIC ELECTRONICS AND ORGANIC RESISTIVE MEMORY DEVICES WITH PHOTO-SWITCHABLE PERFORMANCE L1CAM, SLC1A2, CLTB CCR1 2213/4885CCR8 2934/4885L3MBTL1 2990/4885
US-10766915-B2 Metal-based coordination complexes as photodynamic compounds and their use PIN1, PPIF, PPOX CCR1 675/4885CCR8 2303/4885L3MBTL1 2181/4885
US-10335608-B2 Photodynamic compounds and methods for activating them using ionizing radiation and/or other electromagnetic radiation for therapy and/or diagnostics PPOX, HMBS, XPA CCR1 4695/4885CCR8 4662/4885L3MBTL1 3037/4885
US-20110012093-A1 LUMINESCENT GOLD(III) COMPOUNDS CONTAINING BIDENTATE LIGAND FOR ORGANIC LIGHT-EMITTING DEVICES AND THEIR PREPARATION CHRM1, CHRM5, CHRM2 CCR1 741/4885CCR8 562/4885L3MBTL1 30/4885
US-20200239503-A1 PHOTOACTIVATABLE CANCER PRODRUG UGT1A7, DCPS, PPOX CCR1 4203/4885CCR8 2921/4885L3MBTL1 1939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.