SCHEMBL6445978

SCHEMBL6445978

O=C(Nc1ccc(O)cc1)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3O)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.47
PTGER3 P43115 1/20 0.43
PTGS1 P23219 1/20 0.43
TBXAS1 P24557 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 3/20 0.43
STK39 Q9UEW8 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
NQO2 P16083 2/20 0.42
RAB9A P51151 3/20 0.41

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
SCHEMBL6447202 0.94 KMT2A (0.46) PTGER3PTGS1TBXAS1MAPK1PTGS2
SCHEMBL6445760 0.92 CSNK2A2 (0.52) PTGER3KDM4ESTK39ALDH1A1HSD17B10
SCHEMBL6447053 0.92 CSNK2A2 (0.49) PTGER3KDM4ESTK39ALDH1A1HSD17B10
SCHEMBL6445816 0.91 BCAT2 (0.49) PTGER3PTGS1TBXAS1MAPK1PTGS2
SCHEMBL6444242 0.91 RAB9A (0.52) PTGER3KDM4EPOLBALDH1A1RAB9A
SCHEMBL6445872 0.91 NPC1 (0.53) SNCAKDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL6446020 0.91 KMT2A (0.48) PTGER3KDM4EPOLBALDH1A1TAS1R3
SCHEMBL6444705 0.90 MAPK1 (0.57) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL6449238 0.89 CSNK2A2 (0.52) KDM4ESTK39POLBALDH1A1CSNK2A2
SCHEMBL6445643 0.89 CSNK2A2 (0.46) PTGER3KDM4ESTK39POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 US claimed
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 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-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 SNCA 4256/4885PTGER3 332/4885PTGS1 128/4885

“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.