SCHEMBL1417293

SCHEMBL1417293

CCOC(=O)c1sc(N)nc1-c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
HSD17B10 Q99714 1/20 0.76
CYP1A2 P05177 3/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
RECQL P46063 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HPGD P15428 3/20 0.56
FBP1 P09467 1/20 0.55
CDC7 O00311 4/20 0.53
DBF4 Q9UBU7 4/20 0.53
HTT P42858 1/20 0.51
DHODH Q02127 2/20 0.51

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
SCHEMBL16075311 0.88 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL11161509 0.87 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL28723241 0.87 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL11160196 0.87 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL330552 0.86 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL18342059 0.85 ALDH1A1 (0.73) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL28816403 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL2691019 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL11284789 0.83 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP1A2MAPTMEN1
SCHEMBL16075306 0.83 ALDH1A1 (0.81) ALDH1A1HSD17B10CYP1A2MEN1CYP2C9

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
CN-114057666-B Synthesis method of 4, 5-disubstituted-2-aminothiazole compound 沈阳药科大学 2023-02-07 CN disclosed
CN-114057666-A Synthesis method of 4, 5-disubstituted-2-aminothiazole compound 沈阳药科大学 2022-02-18 CN disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
EP-2480600-A1 IRON(III)-COMPLEXING AGENT FOR STABILIZING COMB POLYMERS IN MINERAL BINDING AGENTS Sika Technology AG (CH) 2012-08-01 EP disclosed
US-20120178854-A1 IRON(III)-COMPLEXING AGENTS FOR STABILIZING COMB POLYMERS IN MINERAL BINDING AGENTS SIKA TECHNOLOGY AG (CH) 2012-07-12 US disclosed
WO-2011033127-A1 IRON(III)-COMPLEXING AGENT FOR STABILIZING COMB POLYMERS IN MINERAL BINDING AGENTS SIKA TECHNOLOGY AG (CH) 2011-03-24 WO disclosed
EP-2298833-A1 Iron(III) complexing agents for stabilisation of comb polymers in mineral binding agents Sika Technology AG (CH) 2011-03-23 EP 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-20120178854-A1 IRON(III)-COMPLEXING AGENTS FOR STABILIZING COMB POLYMERS IN MINERAL BINDING AGENTS TAF5, TAF1, FECH ALDH1A1 3995/4885HSD17B10 3798/4885CYP1A2 4489/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885HSD17B10 2376/4885CYP1A2 4548/4885

“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.