SCHEMBL405137

SCHEMBL405137

Cc1ccc2nc(Cl)c(Cl)nc2c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MPI P34949 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ACSS2 Q9NR19 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
SCHEMBL18267363 0.85 MAPT (0.43) MAPTKDM4EMAPK1ALDH1A1KMT2A
SCHEMBL1805978 0.79 TDP1 (0.41) TDP1
SCHEMBL20440390 0.73 NQO2 (0.41) TDP1MAPTKDM4EMAPK1ALDH1A1
SCHEMBL29851049 0.73 MAPT (0.35) TDP1MAPTKDM4EALDH1A1KMT2A
SCHEMBL438099 0.73 TDP1 (0.35) TDP1RXFP1
SCHEMBL15501773 0.73 MAPT (0.35) TDP1MAPTKDM4EALDH1A1KMT2A
SCHEMBL23009828 0.72 ALDH1A1 (0.54) MAPTKDM4EMAPK1ALDH1A1CYP1A2
SCHEMBL2423180 0.71 TDP1 (0.52) TDP1MAPTKDM4EMAPK1ALDH1A1
SCHEMBL31399980 0.71 TDP1 (0.52) TDP1MAPTKDM4EMAPK1ALDH1A1
SCHEMBL20969640 0.69 ACACB (0.37) TDP1ALDH1A1CYP3A4KMT2ASMN1; SMN2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TDP1 4213/4885MAPT 2336/4885KDM4E 1897/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TDP1 4213/4885MAPT 2336/4885KDM4E 1897/4885

“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.