SCHEMBL3501672

SCHEMBL3501672

O=c1ccc2ccccc2n1OCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 5/20 0.60
HSD17B10 Q99714 3/20 0.60
POLB P06746 1/20 0.51
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 2/20 0.43
CA12 O43570 1/20 0.39
BRD4 O60885 1/20 0.39
BRPF1 P55201 1/20 0.39

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
SCHEMBL4299856 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10POLBMAPT
SCHEMBL9284377 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10POLBMAPT
SCHEMBL20547078 0.75 GABRA5 (0.50) ALDH1A1LMNAKMT2AMEN1CA12
SCHEMBL31324227 0.73 CA12 (0.47) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL3728484 0.71 SMN1; SMN2 (0.43) ALDH1A1KDM4EHSD17B10SMN1; SMN2NPC1
SCHEMBL30925613 0.71 CA12 (0.41) ALDH1A1KDM4EHSD17B10LMNAKMT2A
SCHEMBL28498048 0.71 CA12 (0.41) ALDH1A1KDM4EHSD17B10LMNAKMT2A
SCHEMBL10661265 0.70 CA12 (0.55) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL4299181 0.70 CA12 (0.43) ALDH1A1KDM4EHSD17B10POLBLMNA
SCHEMBL8071670 0.70 ALOX15 (0.52) ALDH1A1KDM4EHSD17B10MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184754-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-07-22 US disclosed
US-7598268-B2 Quinolinone derivatives NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-10-06 US disclosed
US-20080070906-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-03-20 US disclosed
US-7335774-B2 Quinolinone derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-02-26 US disclosed
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents CHIRON CORPORATION 2005-09-22 US disclosed
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents CHIRON CORPORATION 2005-03-10 US disclosed
US-6800760-B2 INHIBITORS OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE CHIRON CORPORATION 2004-10-05 US disclosed
US-6774237-B2 VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASES INHIBITORS; ANGIOGENESIS INHIBITORS, ANTICARCINOGENIC AGENTS CHIRON CORPORATION 2004-08-10 US disclosed
US-6762194-B2 VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS CHIRON CORPORATION 2004-07-13 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-20080070906-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 ALDH1A1 274/4885KDM4E 4563/4885HSD17B10 498/4885
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents VEGFA, FLT1, KDR ALDH1A1 837/4885KDM4E 3745/4885HSD17B10 2311/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 ALDH1A1 1081/4885KDM4E 776/4885HSD17B10 2349/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 ALDH1A1 274/4885KDM4E 4563/4885HSD17B10 498/4885

“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.