SCHEMBL3535330

SCHEMBL3535330

Cc1ccc(CCl)c(CN2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 6/20 0.53
HSD17B10 Q99714 3/20 0.52
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12569577 0.83 CYP2A13 (0.61) CYP2A13HSD17B10CYP2C9ALOX15NPC1
SCHEMBL11961576 0.83 CYP2A13 (0.71) CYP2A13HSD17B10CYP2C9ALOX15NPC1
SCHEMBL13983575 0.82 CYP2A13 (0.65) CYP2A13HSD17B10CYP2C9ALOX15NPC1
SCHEMBL16588036 0.82 CYP2A13 (0.65) CYP2A13HSD17B10CYP2C9ALOX15NPC1
SCHEMBL10290331 0.79 CYP2A13 (0.61) CYP2A13HSD17B10CYP2C9ALOX15NPC1
SCHEMBL19175045 0.79 HSD17B10 (0.53) CYP2A13HSD17B10CYP2C9ALOX15NPC1
SCHEMBL10163424 0.79 ALOX15 (0.65) CYP2A13HSD17B10CYP2C9ALOX15NPC1
SCHEMBL3738488 0.78 CYP2A13 (0.69) CYP2A13HSD17B10CYP2C9ALOX15HRH3
SCHEMBL14515373 0.76 HSD17B10 (0.50) CYP2A13HSD17B10CYP2C9ALOX15NPC1
SCHEMBL20465101 0.76 HSD17B10 (0.50) CYP2A13HSD17B10CYP2C9ALOX15NPC1

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
CN-1976706-B FGFR3 inhibition and treatment of multiple myeloma NOVARTIS VACCINES & DIAGNOSTIC 2012-01-18 CN disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
CN-100526312-C Benzimidazole quinolinones and uses thereof CHIRON CORP (US) 2009-08-12 CN disclosed
CN-1976706-A FGFR3 inhibition and treatment of multiple myeloma CHIRON CORP (US) 2007-06-06 CN disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
CN-1692112-A Benzimidazole quinolinones and uses thereof CHIRON CORP (US) 2005-11-02 CN disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 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 (2 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK CYP2A13 1305/4885HSD17B10 3933/4885CYP2C9 1157/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 CYP2A13 121/4885HSD17B10 2473/4885CYP2C9 26/4885

“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.