SCHEMBL2932659

SCHEMBL2932659

O=C(Nc1ccc2cn[nH]c2c1)c1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAOB P27338 10/20 0.57
CLK2 P49760 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
MAP4K4 O95819 1/20 0.54
DYRK1A Q13627 1/20 0.54
SRPK1 Q96SB4 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2930559 0.92 NPC1 (0.60) NPC1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL2927267 0.89 NPC1 (0.61) NPC1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL2927215 0.88 HPGD (0.55) NPC1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL2926183 0.82 L3MBTL1 (0.41) NPC1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL14022343 0.81 RAB9A (0.67) NPC1RAB9AHPGDSMN1; SMN2CLK2
SCHEMBL2927703 0.80 NPC1 (0.60) NPC1RAB9AMAOBCLK2CLK4
SCHEMBL18146208 0.79 MDM2 (0.55) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2932098 0.78 HPGD (0.65) NPC1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL15764689 0.78 NPC1 (0.70) NPC1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL9944803 0.77 CYP2C19 (0.52) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4

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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
CN-102633783-A Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA INC 2012-08-15 CN disclosed
CN-101379060-B Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC 2012-05-23 CN disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
CN-101379060-A Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC (US) 2009-03-04 CN disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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 (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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB NPC1 653/4885RAB9A 3858/4885HPGD 3750/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB NPC1 653/4885RAB9A 3858/4885HPGD 3750/4885

“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.