SCHEMBL7040288

SCHEMBL7040288

Cc1[c]cc(-c2ccccc2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
CYP2B6 P20813 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
RAB9A P51151 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL2961470 0.77 CYP3A4 (0.36) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL8919335 0.76 CYP3A4 (0.44) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL3472967 0.75 APP (0.59) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL21110943 0.75 CA12 (0.40) CYP2A6ALDH1A1KDM4EHPGDMAPK1
SCHEMBL147151 0.67 HSD17B1 (0.48) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL3931046 0.67 SMN1; SMN2 (0.38) CYP2A6CYP2B6CYP2E1RAB9AMEN1
SCHEMBL498650 0.66 HSD17B1 (0.65) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL6015219 0.65 RXFP1 (0.53) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL2241368 0.64 HSD17B1 (0.62) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL7591649 0.64 HSD17B1 (0.62) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423127-A1 NOVEL PHOTOACTIVE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND INTERMEDIATES THEREFOR TRAQSON LIMITED (GB) 1991-04-24 EP claimed
EP-0334477-A2 Novel photoactive compounds, processes for their production and intermediates therefor MTM RESEARCH CHEMICALS LIMITED (GB) 1989-09-27 EP claimed
WO-1989007597-A2 NOVEL PHOTOACTIVE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND INTERMEDIATES THEREFOR TRAQSON LIMITED (GB) 1989-08-24 WO claimed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 CYP2A6 217/4885CYP2B6 98/4885CYP2E1 26/4885

“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.