SCHEMBL6775432

SCHEMBL6775432

COC(=O)c1ccc(COc2cccnc2)cc1I

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
SMPD1 P17405 1/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PAK1 Q13153 1/20 0.43

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
SCHEMBL2972861 0.85 HPGD (0.54) MAPTRAB9ANPSR1KMT2AKDM4E
SCHEMBL6778188 0.83 FNTA (0.54) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL6771583 0.83 FNTA (0.49) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL6776213 0.81 FNTA (0.64) FNTAFNTB
SCHEMBL6776438 0.78 FNTA (0.44) NOS1NOS2FNTAFNTBKMT2A
SCHEMBL6782610 0.78 FNTA (0.49) NOS1NOS2FNTAFNTBKMT2A
SCHEMBL6776817 0.76 MAOB (0.53) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL10953709 0.75 CLK1 (0.50) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL6772426 0.74 FNTA (0.48) FNTAFNTBKMT2AKDM4EALDH1A1
SCHEMBL9479958 0.73 KDM4E (0.60) MAPTNPSR1KMT2AKDM4EALDH1A1

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 3 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
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP 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 NOS1 3362/4885NOS2 3916/4885MAPT 4674/4885

“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.