SCHEMBL8445262

SCHEMBL8445262

COc1ccc(SC)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.44
CYP2A6 P11509 2/20 0.42
GABRA5 P31644 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL18680889 0.81 NNMT (0.43) NNMTCYP2A6MKNK1MKNK2HSD17B1
SCHEMBL24894288 0.81 NNMT (0.47) NNMTCYP2A6MKNK1MKNK2HSD17B1
SCHEMBL19122982 0.79 GABRA5 (0.43) GABRA5KDM4EMAPT
SCHEMBL9375927 0.76 LMNA (0.47) NNMTCYP2A6HSD17B1HSD17B2LMNA
SCHEMBL23182712 0.75 GABRA5 (0.43) GABRA5
SCHEMBL23980728 0.75 NPC1 (0.40) GABRA5CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL23183076 0.74 GABRA5 (0.39) GABRA5MAPT
SCHEMBL181102 0.73
SCHEMBL19122167 0.72 GABRA5 (0.41) GABRA5
SCHEMBL5690425 0.72 HRH3 (0.46) GABRA5LMNAKDM4EMEN1KMT2A

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
WO-2023125737-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-06 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
EP-0783486-B1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS DU PONT PHARM CO (US) 1999-10-13 EP disclosed
US-5932586-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US disclosed
EP-0783486-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-16 EP disclosed
US-5593994-A ANTIINFLAMMATORY AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-14 US disclosed
WO-1996010012-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-04 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 NNMT 2415/4885CYP2A6 2962/4885GABRA5 1751/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS NNMT 1875/4885CYP2A6 4819/4885GABRA5 3773/4885

“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.