SCHEMBL3669949

SCHEMBL3669949

Oc1ccccc1C=Nn1cnnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 7/20 0.65
LMNA P02545 3/20 0.64
HSD17B10 Q99714 2/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 3/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 3/20 0.55
HIF1A Q16665 1/20 0.55
HTT P42858 1/20 0.54
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL3669947 1.00 AMY1A (0.65) AMY1ALMNAHSD17B10TSHRKMT2A
SCHEMBL5873306 0.81 CYP1A2 (0.56) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL14276077 0.81 CYP1A2 (0.56) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL13401702 0.76 LMNA (0.57) AMY1ALMNAHSD17B10TSHRKMT2A
SCHEMBL5310365 0.76 AMY1A (0.71) AMY1ALMNAHSD17B10TSHRKMT2A
SCHEMBL5310368 0.76 AMY1A (0.71) AMY1ALMNAHSD17B10TSHRKMT2A
SCHEMBL4956254 0.73 POLB (0.57) HSD17B10KMT2AALDH1A1MEN1KDM4E
SCHEMBL2494935 0.72 LMNA (0.79) AMY1ALMNATSHRALDH1A1KDM4E
SCHEMBL2494933 0.72 LMNA (0.79) AMY1ALMNATSHRALDH1A1KDM4E
SCHEMBL9465026 0.71 CA12 (0.59) KMT2AALDH1A1MEN1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100104644-A1 Compositions and Methods for Treating or Preventing Ophthalmic Disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-04-29 US claimed
US-20090291919-A1 Compositions and Methods for Treating or Preventing Ophthalmic Light Toxicity UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-11-26 US claimed
US-20090286808-A1 Opsin Stabilizing Compounds and Methods of Use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-11-19 US claimed
EP-2069390-A2 OPSIN STABILIZING COMPOUNDS AND METHODS OF USE University of Florida Research Foundation, Inc. (US) 2009-06-17 EP claimed
EP-2069391-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING OPHTHALMIC DISEASE University of Florida Research Foundation, Inc. (US) 2009-06-17 EP claimed
WO-2008013984-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING OPHTHALMIC DISEASE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-01-31 WO claimed
WO-2008013986-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING OPHTHALMIC LIGHT TOXICITY UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-01-31 WO claimed
WO-2008013983-A2 OPSIN STABILIZING COMPOUNDS AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-01-31 WO claimed
US-4064059-A ALIPHATIC ESTER, SUBSTITUTED 4-AMINO-TRIAZOLE, A PHENYLNAPHTHYLAMINE, DIALKYLDIPHENYLAMINE, HYDROCARBYL PHOSPHATE ESTER TEXACO INC. (US) 1977-12-20 US claimed
US-20100104644-A1 Compositions and Methods for Treating or Preventing Ophthalmic Disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-04-29 US disclosed
US-20090291919-A1 Compositions and Methods for Treating or Preventing Ophthalmic Light Toxicity UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-11-26 US disclosed
US-20090286808-A1 Opsin Stabilizing Compounds and Methods of Use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-11-19 US disclosed
EP-2069390-A2 OPSIN STABILIZING COMPOUNDS AND METHODS OF USE University of Florida Research Foundation, Inc. (US) 2009-06-17 EP disclosed
EP-2069391-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING OPHTHALMIC DISEASE University of Florida Research Foundation, Inc. (US) 2009-06-17 EP disclosed
WO-2008013984-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING OPHTHALMIC DISEASE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-01-31 WO disclosed
WO-2008013983-A2 OPSIN STABILIZING COMPOUNDS AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-01-31 WO 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 (3 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-20090291919-A1 Compositions and Methods for Treating or Preventing Ophthalmic Light Toxicity ALDH1A2, EYA3, PDE6C AMY1A 3101/4885LMNA 1092/4885HSD17B10 1183/4885
US-20100104644-A1 Compositions and Methods for Treating or Preventing Ophthalmic Disease ALDH1A2, PDE6C, EYA3 AMY1A 2995/4885LMNA 979/4885HSD17B10 971/4885
US-20090286808-A1 Opsin Stabilizing Compounds and Methods of Use CRYZ, NR2E3, CRYAB AMY1A 3380/4885LMNA 1096/4885HSD17B10 2560/4885

“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.