SCHEMBL406036

SCHEMBL406036

COC(=O)Nc1cc(F)c(Cl)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
NOS2 P35228 1/20 0.36
PLA2G7 Q13093 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL404545 0.88 ALDH1A1 (0.43) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL3389023 0.81 HPGD (0.35) HPGDALDH1A1KDM4EMAPTNPC1
SCHEMBL405809 0.81 CHEK1 (0.44) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL8332676 0.80 USP30 (0.44) HPGDALDH1A1GAAKCNQ3KCNQ2
SCHEMBL3971591 0.80 PGK1 (0.36) HPGDALDH1A1GAAMAPTNPC1
SCHEMBL10285830 0.79 MAPT (0.43) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL1397668 0.77 HPGD (0.41) HPGDALDH1A1KDM4EMAPTNPC1
SCHEMBL404789 0.76 HPGD (0.47) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL22987765 0.76 HPGD (0.47) HPGDALDH1A1GAAKDM4ENPC1
SCHEMBL405736 0.76 ALDH1A1 (0.55) HPGDALDH1A1GAAKDM4EMAPT

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 6 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-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-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 MRGPRX4 39/4885HPGD 252/4885ALDH1A1 1909/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MRGPRX4 39/4885HPGD 252/4885ALDH1A1 1909/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MRGPRX4 39/4885HPGD 252/4885ALDH1A1 1909/4885

“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.