SCHEMBL463526

SCHEMBL463526

N#Cc1cc(C(F)(F)F)cc(F)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
TRPV4 Q9HBA0 2/20 0.38
KHK P50053 1/20 0.37
AR P10275 3/20 0.35
KIF11 P52732 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
BRCA1 P38398 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XDH P47989 1/20 0.33
PGR P06401 1/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL9730417 0.88 AR (0.39) ALOX5APFEN1CYP11B1CYP11B2TRPV4
SCHEMBL2370038 0.82 ALDH1A1 (0.44) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL23301575 0.81 AR (0.46) AR
SCHEMBL20660587 0.81 HTT (0.38) ALOX5APFEN1ARKIF11
SCHEMBL16729565 0.81 ALDH1A1 (0.33) ALDH1A1MPLIDO1
SCHEMBL9314066 0.80 CYP11B1 (0.41) ALOX5APFEN1CYP11B1CYP11B2TRPV4
SCHEMBL4595988 0.80 KIF11 (0.50) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL9581992 0.79 ADRB2 (0.41) ALOX5APFEN1ADRB2CYP11B1CYP11B2
SCHEMBL9581766 0.79 GABRP (0.42) KHKARALDH1A1KDM4E
SCHEMBL3323506 0.79 TSHR (0.41) KIF11ALDH1A1CES2MPLIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALOX5AP 1301/4885FEN1 4309/4885ADRB2 571/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALOX5AP 1301/4885FEN1 4309/4885ADRB2 571/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALOX5AP 1301/4885FEN1 4309/4885ADRB2 571/4885

“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.