SCHEMBL2928682

SCHEMBL2928682

Nc1cc(N2CCNCC2)c(C(=O)Nc2ccc3ncsc3c2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 7/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 6/20 0.41
RECQL P46063 1/20 0.40
MAT2A P31153 1/20 0.40
RAB9A P51151 7/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
OTUD7B Q6GQQ9 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL2927822 0.90 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTMEN1MAT2A
SCHEMBL2931613 0.85 KEAP1 (0.50) ALDH1A1KMT2AMAPTMEN1MAT2A
SCHEMBL2926139 0.83 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL2927223 0.81 KMT2A (0.48) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL2926050 0.78 ATR (0.49) ALDH1A1KMT2AMAPTMEN1RECQL
SCHEMBL2931928 0.78 KEAP1 (0.47) ALDH1A1KMT2AMAPTMEN1MAT2A
SCHEMBL2933691 0.77 KMT2A (0.45) ALDH1A1KMT2AMAPTMEN1MAT2A
SCHEMBL2931591 0.73 HSD11B1 (0.54) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL2929621 0.73 KEAP1 (0.53) ALDH1A1KMT2AMAPTMEN1MAT2A
SCHEMBL2929492 0.71 RAB9A (0.48) ALDH1A1KMT2AMAPTMEN1RAB9A

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 ALDH1A1 3036/4885KMT2A 948/4885MAPT 1464/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB ALDH1A1 3036/4885KMT2A 948/4885MAPT 1464/4885

“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.