SCHEMBL1101351

SCHEMBL1101351

CCCCCc1nc(N)sc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
DHFR P00374 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL11325593 0.98 ALDH1A1 (0.41) ALDH1A1MAPTRAB9AKDM4EMEN1
SCHEMBL11326258 0.95 ALDH1A1 (0.37) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL10887538 0.82 MAPT (0.38) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL7186350 0.74 ALDH1A1 (0.41) ALDH1A1RAB9AKDM4EMEN1KMT2A
SCHEMBL9457581 0.74 KCNH2 (0.45) ALDH1A1MAPTRAB9AKDM4EMEN1
SCHEMBL27913052 0.73 ALDH1A1 (0.39) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL16498140 0.71 ALDH1A1 (0.44) ALDH1A1RAB9AKDM4EMEN1KMT2A
SCHEMBL11338473 0.71 GABRP (0.45) ALDH1A1MAPTDHFRGABRPGABRD
SCHEMBL27892818 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27912797 0.70 ALDH1A1 (0.33) ALDH1A1MAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170290814-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS GENFIT (FR) 2017-10-12 US disclosed
US-8940894-B2 Aminothiazole compounds as kinase inhibitors and methods of using the same AB SCIENCE (FR) 2015-01-27 US disclosed
US-20130289045-A1 AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USING THE SAME AB SCIENCE (FR) 2013-10-31 US disclosed
US-8492545-B2 Aminothiazole compounds as kinase inhibitors and methods of using the same AB SCIENCE (FR) 2013-07-23 US 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
US-20100121063-A1 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AB SCIENCE (FR) 2010-05-13 US 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 (4 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 ALDH1A1 638/4885MAPT 3714/4885RAB9A 1467/4885
US-20170290814-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS NR1H4, SLC10A1, MMP1 ALDH1A1 748/4885MAPT 4417/4885RAB9A 3681/4885
US-20120196871-A1 PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS ABL1, ABL2, ALK ALDH1A1 811/4885MAPT 3774/4885RAB9A 1534/4885
US-20130289045-A1 AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USING THE SAME ABL1, ABL2, ALK ALDH1A1 813/4885MAPT 3602/4885RAB9A 1400/4885

“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.