SCHEMBL2926050

SCHEMBL2926050

Nc1cc(N2CCNCC2)c(C(=O)Nc2ccc3cn[nH]c3c2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
MAP4K4 O95819 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CFTR P13569 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL2931009 0.90 TRPV1 (0.47) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL2932141 0.88 TRPV1 (0.45) ATRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2927844 0.85 NPC1 (0.43) ATRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2930123 0.85 TRPV1 (0.47) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL2927134 0.84 ALDH1A1 (0.39) ATRSMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL2932080 0.83 TRPV1 (0.47) RAB9ANPC1ALDH1A1TRPV1MAP4K4
SCHEMBL2934928 0.83 LMNA (0.40) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL2933104 0.82 NPC1 (0.46) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL2927215 0.81 HPGD (0.55) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL2924638 0.79 NPC1 (0.49) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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 6 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
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
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 ATR 274/4885RAB9A 3858/4885NPC1 653/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB ATR 274/4885RAB9A 3858/4885NPC1 653/4885

“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.