SCHEMBL12224545

SCHEMBL12224545

Bc1ccc(C)c(F)c1N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
CD44 P16070 1/20 0.31
CASP1 P29466 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL9926474 0.79 POLB (0.48) POLBALDH1A1TDP1CD44CASP1
SCHEMBL3725651 0.77 POLB (0.40) POLBALDH1A1TDP1CD44CASP1
SCHEMBL13765703 0.77 HPGD (0.34)
SCHEMBL405898 0.75 CD44 (0.44) POLBALDH1A1TDP1CD44CASP1
SCHEMBL24474070 0.71 TDP1 (0.36) POLBALDH1A1TDP1CD44CASP1
SCHEMBL406843 0.71 POLB (0.36) POLBALDH1A1TDP1CD44CASP1
SCHEMBL2778015 0.71 CYP3A4 (0.43) POLBALDH1A1TDP1CD44CASP1
SCHEMBL20274760 0.70 CYP1A2 (0.31)
SCHEMBL13626927 0.69 MEN1 (0.33)
SCHEMBL30064 0.69 ACHE (0.42) POLBALDH1A1TDP1CASP1

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 POLB 4705/4885ALDH1A1 1909/4885TDP1 4213/4885

“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.