SCHEMBL5987950

SCHEMBL5987950

[c]1c(-c2cccs2)sc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
LTA4H P09960 3/20 0.35
ALDH1A1 P00352 7/20 0.35
HSD17B10 Q99714 5/20 0.35
HPGD P15428 4/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
MAPK10 P53779 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.33
EPHX2 P34913 1/20 0.33
DPP4 P27487 2/20 0.33

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
SCHEMBL547394 0.73 APP (0.46) CYP2A6
SCHEMBL2965431 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28581187 0.70 NPC1 (0.43) KDM4ENPC1RAB9AALDH1A1HSD17B10
SCHEMBL6992749 0.68 CYP2A6 (0.38) ALDH1A1HPGDMAPTLMNACYP2A6
SCHEMBL16291133 0.64 L3MBTL1 (0.57) KDM4ENPC1RAB9AL3MBTL1LTA4H
SCHEMBL3545 0.64 L3MBTL1 (0.57) KDM4ENPC1RAB9AL3MBTL1LTA4H
SCHEMBL218556 0.63 GPR3 (0.35)
SCHEMBL550941 0.63 GPR3 (0.35) KDM4ERAB9AALDH1A1HSD17B10HPGD
SCHEMBL2775439 0.63 GPR3 (0.35) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL4720558 0.63 KDM4E (0.43) KDM4ENPC1RAB9AL3MBTL1LTA4H

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-6989446-B2 Process for the preparation of 3-aryl-benzofuranones CIBA SPECIALTY CHEMICALS CORP. (US) 2006-01-24 US disclosed
US-20030018191-A1 Reacting an aromatic carbonyl compound with carbon monoxide in presence of a metal catalyst TINKL MICHAEL (DE) 2003-01-23 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-20030018191-A1 Reacting an aromatic carbonyl compound with carbon monoxide in presence of a metal catalyst MT-CO2, CYC1, MT-CO1 KDM4E 491/4885NPC1 2043/4885RAB9A 2722/4885

“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.