SCHEMBL7899513

SCHEMBL7899513

NC1COc2c(F)cc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
NOTUM Q6P988 1/20 0.31

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
SCHEMBL31277915 0.81 KDM1A (0.35) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL6899425 0.80 NOS3 (0.33) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL29991777 0.80 NOS3 (0.33) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL13834431 0.80 NOS3 (0.33) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL29991327 0.80 NOS3 (0.33) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL6920007 0.79 TAAR1 (0.39) HTR2A
SCHEMBL6900507 0.73 NOTUM (0.32) NOS3NOS1NOS2NOTUM
SCHEMBL31278211 0.70 KDM1A (0.41) HTR2CHTR2BKDM1AKDM1B
Hydrochloric Acid SCHEMBL30989938 0.69 KDM1A (0.40) HTR2CHTR2BKDM1AKDM1B
SCHEMBL29991822 0.69 NOS3 (0.34) NOS3NOS1NOS2HTR2AHTR2C

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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 NOS3 3068/4885NOS1 3478/4885NOS2 3790/4885

“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.