SCHEMBL2840136

SCHEMBL2840136

CC(=O)c1sc(Nc2cnccn2)nc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
LMNA P02545 4/20 0.66
RXFP1 Q9HBX9 3/20 0.66
MAPK10 P53779 1/20 0.66
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
DHODH Q02127 4/20 0.51
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 3/20 0.50
NT5E P21589 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
NPC1 O15118 3/20 0.48
USP2 O75604 2/20 0.48
TP53 P04637 2/20 0.48
CASP1 P29466 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
STAT1 P42224 1/20 0.48

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
SCHEMBL2832890 0.84 ALDH1A1 (0.48) ALDH1A1LMNARXFP1MAPK10HPGD
SCHEMBL8738378 0.81 ALDH1A1 (0.97) ALDH1A1LMNARXFP1MAPK10HPGD
Bromide SCHEMBL6121128 0.80 ALDH1A1 (1.00) ALDH1A1LMNARXFP1MAPK10HPGD
Hydrochloric Acid SCHEMBL6114205 0.80 ALDH1A1 (0.95) ALDH1A1LMNARXFP1MAPK10HPGD
SCHEMBL3133321 0.77 ALDH1A1 (0.67) ALDH1A1LMNARXFP1MAPK10HPGD
SCHEMBL8738341 0.77 RAB9A (0.66) ALDH1A1LMNARXFP1MAPK10HPGD
Hydrochloric Acid SCHEMBL6113942 0.76 RAB9A (0.64) ALDH1A1LMNARXFP1MAPK10HPGD
Bromide SCHEMBL6121426 0.76 SMN1; SMN2 (0.65) ALDH1A1LMNARXFP1MAPK10HPGD
SCHEMBL8738730 0.75 SMN1; SMN2 (0.74) ALDH1A1LMNARXFP1MAPK10HPGD
Hydrochloric Acid SCHEMBL6114152 0.74 SMN1; SMN2 (0.72) ALDH1A1LMNARXFP1MAPK10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US 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 (1 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-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries PDGFRA, PDGFRB, PF4 ALDH1A1 40/4885LMNA 4868/4885RXFP1 3575/4885

“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.