SCHEMBL6772339

SCHEMBL6772339

NC1=CC(F)=CN(Cc2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.37
ADORA1 P30542 2/20 0.35
MC4R P32245 1/20 0.33
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
CTRC Q99895 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DRD4 P21917 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CYP19A1 P11511 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
SCHEMBL5608438 0.69 SIGMAR1 (0.39) SIGMAR1MC4RF2PLGELANE
SCHEMBL5263685 0.67 MAPT (0.40) SIGMAR1MC4RLMNA
SCHEMBL21348346 0.66 GSK3A (0.44) SIGMAR1F2PLGELANECTSG
SCHEMBL1044027 0.61 SIGMAR1 (0.52) SIGMAR1MC4RF2PLGELANE
SCHEMBL28953885 0.61 GAA (0.44) SIGMAR1MC4RELANECTSGTSHR
Bromide SCHEMBL30533153 0.61 SIGMAR1 (0.38) SIGMAR1ADORA1MC4RF2PLG
SCHEMBL25291649 0.60 SIGMAR1 (0.37) SIGMAR1MC4RF2PLGELANE
SCHEMBL29809367 0.60 MAPT (0.40) SIGMAR1MC4RLMNA
SCHEMBL5540890 0.60 SIGMAR1 (0.46) SIGMAR1MC4R
SCHEMBL2228270 0.60 SIGMAR1 (0.56) SIGMAR1MC4RF2PLGELANE

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-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 SIGMAR1 1943/4885ADORA1 4503/4885MC4R 4814/4885

“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.