SCHEMBL13286604

SCHEMBL13286604

c1cnc2c(c1)c1nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc1c1cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.53
HSP90AA1 P07900 6/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
NPC1 O15118 1/20 0.52
CCR1 P32246 4/20 0.52
CCR8 P51685 4/20 0.52
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 4/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
ALOX15 P16050 3/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
CCR5 P51681 2/20 0.46
HIF1A Q16665 2/20 0.46

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
SCHEMBL30022928 1.00 DHFR (0.53) DHFRHSP90AA1L3MBTL1NPC1CCR1
SCHEMBL31036114 0.91 CCR1 (0.53) DHFRHSP90AA1L3MBTL1NPC1CCR1
SCHEMBL912017 0.91 CCR1 (0.53) DHFRHSP90AA1L3MBTL1NPC1CCR1
SCHEMBL15672165 0.89 DHFR (0.45) DHFRHSP90AA1L3MBTL1NPC1CCR1
SCHEMBL30185055 0.88 L3MBTL1 (0.54) DHFRHSP90AA1L3MBTL1NPC1CCR1
SCHEMBL29390114 0.88 L3MBTL1 (0.54) DHFRHSP90AA1L3MBTL1NPC1CCR1
SCHEMBL30185058 0.88 L3MBTL1 (0.54) DHFRHSP90AA1L3MBTL1NPC1CCR1
SCHEMBL166826 0.88 L3MBTL1 (0.54) DHFRHSP90AA1L3MBTL1NPC1CCR1
Hydrochloric Acid SCHEMBL5931379 0.86 L3MBTL1 (0.52) DHFRHSP90AA1L3MBTL1NPC1CCR1
SCHEMBL6693951 0.86 L3MBTL1 (0.52) DHFRHSP90AA1L3MBTL1NPC1CCR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9816075-B2 Compounds with modifying activity enhanced under hypoxic conditions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-14 US disclosed
US-20150152390-A1 Compounds With Modifying Activity Enhanced Under Hypoxic Conditions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-06-04 US disclosed
US-8824048-B2 Anisotropic dye layer, coordination polymer for anisotropic dye layer and polarization element, and polarization control film, polarization control element, multi-layer polarization control element, ellipse polarization plate, light emission element, and method for controlling polarization properties employing the anisotropic dye layer KONICA MINOLTA OPTO, INC. (JP) 2014-09-02 US disclosed
US-20130235552-A1 ANISOTROPIC DYE LAYER, COORDINATION POLYMER FOR ANISOTROPIC DYE LAYER AND POLARIZATION ELEMENT, AND POLARIZATION CONTROL FILM, POLARIZATION CONTROL ELEMENT, MULTI-LAYER POLARIZATION CONTROL ELEMENT, ELLIPSE POLARIZATION PLATE, LIGHT EMISSION ELEMENT, AND METHOD FOR CONTROLLING POLARIZATION PROPERTIES EMPLOYING THE ANISOTROPIC DYE LAYER KONICA MINOLTA OPTO, INC. (JP) 2013-09-12 US disclosed
US-8472115-B2 Anistropic dye layer, coordination polymer for anistropic dye layer and polarization element, and polarization control film, polarization control element, multi-layer polarization control element, ellipse polarization plate, light emission element, and method for controlling polarization properties employing the anistropic dye layer KONICA MINOLTA OPTO, INC. (JP) 2013-06-25 US disclosed
US-20120295880-A1 Compounds With Modifying Activity Enhanced Under Hypoxic Conditions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-11-22 US disclosed
US-20100142050-A1 ANISTROPIC DYE LAYER, COORDINATION POLYMER FOR ANISTROPIC DYE LAYER AND POLARIZATION ELEMENT, AND POLARIZATION CONTROL FILM, POLARIZATION CONTROL ELEMENT, MULTI-LAYER POLARIZATION CONTROL ELEMENT, ELLIPSE POLARIZATION PLATE, LIGHT EMISSION ELEMENT, AND METHOD FOR CONTROLLING POLARIZATION PROPERTIES EMPLOYING THE ANISTROPIC DYE LAYER KONICA MINOLTA OPTO, INC. (JP) 2010-06-10 US 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 (1 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-20120295880-A1 Compounds With Modifying Activity Enhanced Under Hypoxic Conditions HIF1A, HIF1AN, HYOU1 DHFR 244/4885HSP90AA1 1772/4885L3MBTL1 3238/4885

“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.