SCHEMBL4531938

SCHEMBL4531938

NC(=S)Nc1ccc2occc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CNR1 P21554 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41
TYR P14679 1/20 0.41
TSHR P16473 1/20 0.41
TAS2R38 P59533 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
CDK9 P50750 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
SCHEMBL9080965 0.77 CNR1 (0.58) CNR1KMT2AALDH1A1
SCHEMBL14485379 0.77 CNR1 (0.51) SMN1; SMN2KDM4ECNR1KMT2AALDH1A1
SCHEMBL2572485 0.76 RAB9A (0.50) SMN1; SMN2KDM4ECNR1KMT2ACYP1A2
SCHEMBL11355784 0.76 DYRK1A (0.46) CNR1CDK9DYRK1ACYP2A6EPM2A
Hydrochloric Acid SCHEMBL7556243 0.74 DYRK1A (0.44) CNR1CDK9DYRK1ACYP2A6EPM2A
SCHEMBL11539598 0.73 CNR1 (0.54) SMN1; SMN2KDM4ECNR1KMT2AALDH1A1
SCHEMBL6029079 0.72 AURKA (0.47) KMT2ACDK9DYRK1ACYP2A6EPM2A
SCHEMBL24783507 0.72 CYP2A6 (0.46) CNR1CDK9DYRK1ACYP2A6EPM2A
SCHEMBL1116477 0.72 HTR1B (0.49) CNR1CDK9DYRK1ACYP2A6EPM2A
SCHEMBL13153074 0.72 CYP2A6 (0.46) CNR1CDK9DYRK1ACYP2A6EPM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB SMN1; SMN2 4287/4885KDM4E 4820/4885CNR1 1373/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC SMN1; SMN2 1799/4885KDM4E 4801/4885CNR1 2809/4885

“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.