SCHEMBL405383

SCHEMBL405383

Cc1cc(F)c2nc(Cl)c(Cl)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MPI P34949 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
NUDT1 P36639 1/20 0.32
F2RL3 Q96RI0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PABPC1 P11940 1/20 0.30
GAA P10253 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL18267354 0.85 MAOA (0.34) ALDH1A1SMN1; SMN2NUDT1F2RL3CYP1A2
SCHEMBL405679 0.79 TDP1 (0.41) TDP1
SCHEMBL31283693 0.76 ALDH1A1 (0.39) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL12225192 0.76 ALDH1A1 (0.39) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL406431 0.76 NQO2 (0.36) TDP1
SCHEMBL404446 0.76 HRH4 (0.54) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10285835 0.73 KIF20B (0.39) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL5974020 0.72 RXFP1 (0.36) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL23749957 0.72 TDP1 (0.40) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL29343954 0.71 KDM4E (0.33) KMT2AALDH1A1MAPTKDM4EMEN1

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 KMT2A 751/4885ALDH1A1 1909/4885MAPT 2336/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KMT2A 751/4885ALDH1A1 1909/4885MAPT 2336/4885

“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.