SCHEMBL693543

SCHEMBL693543

O=C(O)c1nc(-c2ccccc2)c(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.43
DBF4 Q9UBU7 2/20 0.43
DHODH Q02127 2/20 0.42
PDE10A Q9Y233 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
PTGER1 P34995 1/20 0.42
KDM4E B2RXH2 5/20 0.41
POLB P06746 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
NR4A2 P43354 1/20 0.41
NTRK1 P04629 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12942142 0.83 NPC1 (0.45) POLBSMN1; SMN2NPC1RAB9A
SCHEMBL17396349 0.81 ALOX5 (0.41) KDM4EPTGDR2ALDH1A1SMN1; SMN2GAA
SCHEMBL5924855 0.80 ALDH1A1 (0.55) CDC7DBF4DHODHPDE10AKDM4E
SCHEMBL27621009 0.79 XIAP (0.55) CDC7DBF4RARARARBRARG
SCHEMBL693401 0.79 ALDH1A1 (0.57) CDC7DBF4DHODHRARARARB
SCHEMBL9830851 0.79 RARA (0.60) DHODHRARARARBRARGKDM4E
Hydrochloric Acid SCHEMBL11231052 0.79 PTGS2 (0.56) CDC7DBF4DHODHPDE10AKDM4E
SCHEMBL3147980 0.77 ALDH1A1 (0.44) KDM4EPOLBPTGDR2CYP1A2ALDH1A1
SCHEMBL2483879 0.75 ALDH1A1 (0.59) KDM4EPOLBPTGDR2CYP1A2ALDH1A1
SCHEMBL12942057 0.75 KMO (0.47) DHODH

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-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 US disclosed
CN-102405220-A Thiazole derivatives and their use as P2Y12Use of receptor antagonists ACTELION PHARMACEUTICALS LTD 2012-04-04 CN disclosed
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-01 US disclosed
EP-2421859-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-02-29 EP disclosed
WO-2010122504-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-28 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-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 CDC7 3629/4885DBF4 4161/4885DHODH 1343/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 CDC7 3584/4885DBF4 3967/4885DHODH 1393/4885

“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.