SCHEMBL1095433

SCHEMBL1095433

CC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.80
ALDH1A1 P00352 6/20 0.74
KMT2A Q03164 4/20 0.74
HPGD P15428 3/20 0.74
MEN1 O00255 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
ALOX12 P18054 1/20 0.74
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
EPHX1 P07099 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.57
ATM Q13315 1/20 0.56
PDPK1 O15530 1/20 0.56
CYTH3 O43739 1/20 0.56
AKT1 P31749 1/20 0.56
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL31436946 1.00 HTT (0.80) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL427418 0.85 HTT (0.67) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL2189558 0.85 HTT (0.70) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL3118987 0.84 KMT2A (0.63) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL5803518 0.83 ALDH1A1 (0.66) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL31436924 0.82 ALDH1A1 (0.65) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL3808080 0.82 ALDH1A1 (0.65) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL4320215 0.81 HTT (0.68) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL11332313 0.81 KMT2A (0.71) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL4320209 0.81 HTT (0.68) HTTALDH1A1KMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940894-B2 Aminothiazole compounds as kinase inhibitors and methods of using the same AB SCIENCE (FR) 2015-01-27 US disclosed
US-8940894-B2 Aminothiazole compounds as kinase inhibitors and methods of using the same AB SCIENCE (FR) 2015-01-27 US disclosed
EP-2366703-B1 Polymorph form of 2-amino (nitroaryl) thiazole derivative AB SCIENCE (FR) 2014-07-30 EP disclosed
EP-2366703-B1 Polymorph form of 2-amino (nitroaryl) thiazole derivative AB SCIENCE (FR) 2014-07-30 EP disclosed
US-20130289045-A1 AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USING THE SAME AB SCIENCE (FR) 2013-10-31 US disclosed
US-20130289045-A1 AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USING THE SAME AB SCIENCE (FR) 2013-10-31 US disclosed
CN-103342701-A 2-Aminothiazole compound polycrystalline type as kinase inhibitors and preparation method thereof AB SCIENCE 2013-10-09 CN disclosed
US-8492545-B2 Aminothiazole compounds as kinase inhibitors and methods of using the same AB SCIENCE (FR) 2013-07-23 US disclosed
US-8492545-B2 Aminothiazole compounds as kinase inhibitors and methods of using the same AB SCIENCE (FR) 2013-07-23 US disclosed
CN-101657446-B Method for synthesizing 2-aminothiazole compounds as kinase inhibitors AB SCIENCE 2013-05-15 CN disclosed
US-20120196871-A1 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AB SCIENCE (FR) 2012-08-02 US disclosed
US-8153792-B2 Process for the synthesis of 2-aminothiazole compounds as kinase inhibitors AB SCIENCE (FR) 2012-04-10 US disclosed
EP-2366703-A1 Polymorph form of 2-amino (nitroaryl) thiazole derivative AB Science (FR) 2011-09-21 EP disclosed
EP-2118099-B1 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AB SCIENCE (FR) 2011-07-06 EP disclosed
EP-2118099-B1 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AB SCIENCE (FR) 2011-07-06 EP disclosed
US-20100121063-A1 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AB SCIENCE (FR) 2010-05-13 US disclosed
US-20100121063-A1 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AB SCIENCE (FR) 2010-05-13 US disclosed
CN-101657446-A Method for synthesizing 2-aminothiazole compounds as kinase inhibitors SCIENCE FR AB 2010-02-24 CN disclosed
EP-2118099-A2 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AB Science (FR) 2009-11-18 EP disclosed
WO-2008098949-A2 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AB SCIENCE (FR) 2008-08-21 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 (3 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-20100121063-A1 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS ABL1, ABL2, KIT HTT 3093/4885ALDH1A1 638/4885KMT2A 291/4885
US-20120196871-A1 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS ABL1, ABL2, ALK HTT 2871/4885ALDH1A1 811/4885KMT2A 268/4885
US-20130289045-A1 AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USING THE SAME ABL1, ABL2, ALK HTT 2963/4885ALDH1A1 813/4885KMT2A 303/4885

“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.