SCHEMBL3583034

SCHEMBL3583034

Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 1/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HSP90AA1 P07900 1/20 0.51
SCD O00767 4/20 0.51
CYP2D6 P10635 2/20 0.48
CNR1 P21554 1/20 0.48
MMP13 P45452 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL3588548 0.85 KMT2A (0.54) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL3585055 0.85 SCD (0.66) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL3584155 0.81 RAB9A (0.60) KMT2AMEN1ALDH1A1CYP2C9CYP3A4
SCHEMBL28475354 0.81 RAB9A (0.72) KMT2AMEN1ALDH1A1CYP2C9CYP3A4
SCHEMBL3587469 0.78 MEN1 (0.63) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL3583248 0.76 RAB9A (0.61) KMT2AMEN1ALDH1A1CYP2C9CYP3A4
SCHEMBL3578788 0.76 CNR1 (0.55) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL3589503 0.75 KMT2A (0.67) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL773337 0.74 LCK (0.72) KMT2AALDH1A1SCDSMN1; SMN2NPC1
SCHEMBL3577371 0.74 MAPT (0.65) KMT2AMEN1ALDH1A1CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US claimed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US claimed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP claimed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US claimed
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US disclosed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US 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-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 KMT2A 1897/4885MEN1 4846/4885ALDH1A1 927/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 KMT2A 1901/4885MEN1 4846/4885ALDH1A1 910/4885

“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.