SCHEMBL9619983

SCHEMBL9619983

COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)S2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.53
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
KDM1A O60341 2/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
PTGS2 P35354 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
POLB P06746 1/20 0.42
MAP2K3 P46734 1/20 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
SCHEMBL11971253 1.00 MAP2K1 (0.53) MAP2K1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL11971251 1.00 MAP2K1 (0.53) MAP2K1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL11971054 1.00 MAP2K1 (0.53) MAP2K1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL11999798 0.93 ACHE (0.48) MAP2K1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL17225369 0.79 MAPT (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1MAOB
SCHEMBL428339 0.79 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL24306021 0.75 TP53 (0.45) KMT2AMEN1MAPK1MAOBKDM1A
SCHEMBL1494251 0.75 DDB1 (0.41) ALDH1A1KMT2ASMN1; SMN2MAPK1DDB1
SCHEMBL17225910 0.75 ESR2 (0.52) KMT2AMEN1MAPK1KDM1ANPC1
SCHEMBL11971115 0.75 DDB1 (0.41) ALDH1A1KMT2ASMN1; SMN2MAPK1DDB1

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-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
US-5149828-A Tetrahydropyran compounds CIBA-GEIGY AG (CH) 1992-09-22 US disclosed
EP-0310552-B1 STABILIZERS FOR COLOUR PHOTOGRAPHIC RECORDING MATERIALS CIBA-GEIGY AG (CH) 1992-05-13 EP disclosed
US-4933271-A Stabilizers for color photography recording materials CIBA-GEIGY AG (CH) 1990-06-12 US disclosed
EP-0310552-A1 Stabilizers for colour photographic recording materials CIBA-GEIGY AG (CH) 1989-04-05 EP 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB MAP2K1 1759/4885ALDH1A1 1763/4885KMT2A 962/4885

“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.