SCHEMBL22356641

SCHEMBL22356641

Nc1ccccc1-c1cc(NC(=O)C(F)(F)F)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
NPY5R Q15761 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TNIK Q9UKE5 1/20 0.41
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL22356644 0.77 RXFP1 (0.43) NPY5RNPC1RAB9ATNIKIDO1
SCHEMBL22356643 0.73 NPY5R (0.41) NPY5RNPC1RAB9ATNIK
SCHEMBL3768295 0.70 ADORA3 (0.58) ADORA3NPC1IDO1
SCHEMBL2873998 0.69 CCNA2 (0.54) NPC1RAB9ATNIKALPL
Hydrochloric Acid SCHEMBL11401357 0.69 ADORA3 (0.56) ADORA3NPC1IDO1
SCHEMBL3846828 0.67 PTGS1 (0.58) NPC1RAB9A
SCHEMBL26708841 0.67 FGFR1 (0.45) NPC1RAB9A
SCHEMBL18704564 0.66 ADORA3 (0.53) ADORA3NPC1RAB9AIDO1
SCHEMBL27883367 0.66 ADORA3 (0.60) ADORA3NPC1RAB9AIDO1
SCHEMBL11471421 0.65 ADORA3 (0.55) ADORA3NPC1RAB9AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262827-A1 AROMATIC DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICAL APPLICATIONS THEREOF BIOARDIS LLC (US) 2020-08-20 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-20200262827-A1 AROMATIC DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICAL APPLICATIONS THEREOF FGFR4, FGFR1, FGFR3 ADORA3 2290/4885NPY5R 1264/4885NPC1 2095/4885

“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.