SCHEMBL15345334

SCHEMBL15345334

NCc1cccc2cc(I)ccc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
PNMT P11086 2/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
IDO1 P14902 2/20 0.32
CYP2D6 P10635 1/20 0.32
PLAU P00749 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL15345722 0.85 PNMT (0.36) HTR2APNMTCYP1A2CYP2C19CYP2C9
SCHEMBL4020188 0.78 PLAU (0.55) HTR2APNMTCYP1A2CYP2C19CYP2C9
SCHEMBL15345492 0.78 HTR2A (0.50) HTR2APNMTCYP1A2CYP2C19CYP2C9
SCHEMBL4847363 0.78 ROCK1 (0.49) HTR2APNMTLOXL2CA2
SCHEMBL21634588 0.77 HTR2A (0.52) HTR2APNMTCYP1A2CYP2C19CYP2C9
SCHEMBL15345661 0.77 CYP1A2 (0.43) HTR2APNMTCYP1A2CYP2C19CYP2C9
SCHEMBL15345565 0.77 IDH1 (0.47) HTR2ACYP1A2PLAU
SCHEMBL15345459 0.77 PNMT (0.45) HTR2APNMTCYP1A2CYP2C19CYP2C9
SCHEMBL15345458 0.77 CYP1A2 (0.57) HTR2ACYP1A2LOXL2SLC6A2SLC6A4
SCHEMBL29484446 0.74 CYP1A2 (0.58) HTR2APNMTCYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 HTR2A 700/4885PNMT 334/4885CYP1A2 98/4885

“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.