SCHEMBL3065613

SCHEMBL3065613

CC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.82
NPC1 O15118 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.63
KMT2A Q03164 2/20 0.63
HTT P42858 2/20 0.63
THRB P10828 1/20 0.62
ALDH1A1 P00352 4/20 0.61
GLA P06280 1/20 0.59
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 2/20 0.58
MGLL Q99685 1/20 0.57
FGFR1 P11362 1/20 0.57
HPGD P15428 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 2/20 0.55
TP53 P04637 1/20 0.55
ATM Q13315 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL120600 0.90 HSD17B10 (1.00) HSD17B10NPC1SMN1; SMN2KMT2AHTT
SCHEMBL29784251 0.90 HSD17B10 (1.00) HSD17B10NPC1SMN1; SMN2KMT2AHTT
SCHEMBL121988 0.86 HSD17B10 (0.61) HSD17B10NPC1SMN1; SMN2KMT2AHTT
SCHEMBL541343 0.85 HSD17B10 (0.76) HSD17B10NPC1SMN1; SMN2KMT2AHTT
SCHEMBL18355573 0.82 MAPK1 (0.66) HSD17B10NPC1SMN1; SMN2KMT2AHTT
SCHEMBL617991 0.82 NPC1 (1.00) HSD17B10NPC1SMN1; SMN2KMT2AHTT
SCHEMBL31372 0.81 HPGD (0.80) HSD17B10NPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL8023395 0.81 SIRT2 (0.61) HSD17B10NPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL25411 0.80 HSD17B10 (0.80) HSD17B10SMN1; SMN2KMT2AHTTTHRB
SCHEMBL13836668 0.79 NPC1 (0.71) HSD17B10NPC1SMN1; SMN2KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US claimed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP claimed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US claimed
EP-2173721-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP claimed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO claimed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US disclosed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US disclosed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US disclosed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP disclosed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP disclosed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 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 (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-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB HSD17B10 2355/4885NPC1 2957/4885SMN1; SMN2 3295/4885

“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.