SCHEMBL2924155

SCHEMBL2924155

O=[N+]([O-])c1ccc2c(OCCN3CCOCC3)n[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ GRM4 Q14833 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ FLT3 P36888 1/20 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
SCHEMBL15516835 0.92 CNR2 (0.52) MAPTSMN1; SMN2KMT2ACNR2CNR1
SCHEMBL2928975 0.81 GRM4 (0.49) MAPTKMT2AGRM4ALDH1A1KDM4E
SCHEMBL2927346 0.79 CTSB (0.53) MAPTSMN1; SMN2KMT2AALDH1A1CYP2C19
SCHEMBL2931491 0.79 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1POLBPKM
SCHEMBL3362693 0.78 MEN1 (0.56) KMT2ACNR2CNR1GRM4ALDH1A1
SCHEMBL1415081 0.75 GRM4 (0.46) MAPTKMT2AGRM4ALDH1A1KDM4E
SCHEMBL29190669 0.75 MAPK1 (0.52) MAPTSMN1; SMN2KMT2AALDH1A1CYP2C9
SCHEMBL30833685 0.75 MAPK1 (0.52) MAPTSMN1; SMN2KMT2AALDH1A1CYP2C9
SCHEMBL15521007 0.74 GRM4 (0.49) MAPTKMT2AGRM4ALDH1A1KDM4E
SCHEMBL519451 0.74 LTA4H (0.71) MAPTSMN1; SMN2ALDH1A1KDM4ENPC1

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 MAPT 1464/4885SMN1; SMN2 4734/4885KMT2A 948/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB MAPT 1464/4885SMN1; SMN2 4734/4885KMT2A 948/4885

“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.

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