SCHEMBL15215399

SCHEMBL15215399

CC[N+](CC)=c1ccc2nc3ccc(N(C)C)cc3oc-2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.44
RAB9A P51151 2/20 0.44
USP2 O75604 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
APP P05067 12/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
THRB P10828 4/20 0.41
RECQL P46063 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
BLM P54132 4/20 0.41
POLB P06746 4/20 0.41
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PPARG P37231 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GSR P00390 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41

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
Hydrochloric Acid SCHEMBL8725849 0.99 APAF1 (0.46) APAF1RAB9AUSP2L3MBTL1APP
SCHEMBL23675025 0.90 APP (0.40) APAF1RAB9AUSP2L3MBTL1APP
SCHEMBL29461572 0.89 MEN1 (0.48) RAB9AUSP2L3MBTL1APPCYP1A2
SCHEMBL6128296 0.89 MEN1 (0.48) RAB9AUSP2L3MBTL1APPCYP1A2
Hydrochloric Acid SCHEMBL29356681 0.88 MEN1 (0.47) APAF1RAB9AUSP2L3MBTL1APP
SCHEMBL10071791 0.87 APAF1 (0.58) APAF1RAB9AUSP2L3MBTL1APP
SCHEMBL15397117 0.85 MEN1 (0.43) RAB9AUSP2L3MBTL1APPCYP1A2
SCHEMBL20329155 0.85 MEN1 (0.39) APAF1RAB9AUSP2L3MBTL1APP
SCHEMBL11955374 0.83 KDM4E (0.47) RAB9AUSP2APPCYP1A2MEN1
SCHEMBL13810526 0.82 APP (0.43) RAB9AUSP2L3MBTL1APPCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492359-B2 Near-infrared nerve-sparing fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-11-08 US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
US-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2016-09-15 US disclosed
US-9146456-B2 Photopolymer formulation for producing holographic media having highly crosslinked matrix polymers BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-29 US disclosed
US-20130224634-A1 PHOTOPOLYMER FORMULATION FOR PRODUCING HOLOGRAPHIC MEDIA HAVING HIGHLY CROSSLINKED MATRIX POLYMERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 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 (4 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-11492359-B2 Near-infrared nerve-sparing fluorophores NTRK1, PMP22, GAP43 APAF1 1773/4885RAB9A 3295/4885USP2 1911/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 APAF1 722/4885RAB9A 1286/4885USP2 1664/4885
US-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 APAF1 573/4885RAB9A 2119/4885USP2 3043/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 APAF1 1125/4885RAB9A 1951/4885USP2 2667/4885

“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.