SCHEMBL9850657

SCHEMBL9850657

NCCCCCCc1ccc(I)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
HRH1 P35367 4/20 0.57
HTR2A P28223 2/20 0.52
SPHK2 Q9NRA0 6/20 0.44
SPHK1 Q9NYA1 6/20 0.44
CYP3A4 P08684 1/20 0.41
IDO1 P14902 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
SCHEMBL30180481 0.98 MAOA (0.60) MAOAHRH1HTR2ASPHK2SPHK1
SCHEMBL5966793 0.91 MAOA (0.50) MAOAHRH1HTR2ACYP3A4IDO1
SCHEMBL28284957 0.88 SPHK2 (0.46) HTR2ASPHK2SPHK1CYP3A4IDO1
SCHEMBL9350714 0.88 MAOA (0.71) MAOAHRH1HTR2A
SCHEMBL3680378 0.85 MAOA (0.75) MAOAHRH1HTR2A
SCHEMBL21580517 0.81 MAOA (0.62) MAOAHRH1HTR2A
SCHEMBL168309 0.80 TAAR1 (0.56) HTR2ACYP3A4IDO1
SCHEMBL5243221 0.80 CYP3A4 (0.46) HTR2ASPHK2SPHK1CYP3A4IDO1
SCHEMBL11433147 0.79 SPHK2 (0.41) HTR2ASPHK2SPHK1CYP3A4IDO1
SCHEMBL6014350 0.79 MAOB (0.64) MAOAHRH1HTR2ACYP3A4

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
EP-0459386-A1 Preparation of polyamides EASTMAN KODAK COMPANY (US) 1991-12-04 EP claimed
US-20260041797-A1 RADIOPAQUE CROSSLINKED ACRYLAMIDE COPOLYMERS AND USES THEREOF BOSTON SCIENTIFIC SCIMED, INC. (US) 2026-02-12 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-20260041797-A1 RADIOPAQUE CROSSLINKED ACRYLAMIDE COPOLYMERS AND USES THEREOF RAD51, BRCA1, HLA-DRB1 MAOA 2114/4885HRH1 4498/4885HTR2A 387/4885

“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.