SCHEMBL20077657

SCHEMBL20077657

O=C(c1ccccc1)c1ccccc1Nc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PLA2G1B P04054 2/20 0.57
ATG4B Q9Y4P1 2/20 0.57
NPC1 O15118 2/20 0.57
HTT P42858 2/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
PBRM1 Q86U86 1/20 0.55
KMT2A Q03164 3/20 0.54
LMNA P02545 3/20 0.54
CYP1A2 P05177 2/20 0.54
HPGD P15428 2/20 0.54
CYP2C19 P33261 2/20 0.54
AKR1C3 P42330 2/20 0.54
MEN1 O00255 2/20 0.54

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
SCHEMBL4249088 0.84 PBRM1 (0.75) ALDH1A1MAPTPLA2G1BATG4BPBRM1
SCHEMBL30575470 0.84 PBRM1 (0.75) ALDH1A1MAPTPLA2G1BATG4BPBRM1
SCHEMBL28297347 0.82 PBRM1 (0.73) ALDH1A1MAPTPLA2G1BATG4BPBRM1
SCHEMBL5357396 0.80 FABP4 (0.65) ALDH1A1MAPTKMT2AAKR1C3MEN1
SCHEMBL1908399 0.80 MAPK13 (0.55) ALDH1A1MAPTSMN1; SMN2NPC1HTT
SCHEMBL17663805 0.80 MAPK14 (0.65) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27529702 0.80 MAPK14 (0.78) ALDH1A1MAPTSMN1; SMN2PLA2G1BATG4B
SCHEMBL20077656 0.79 MAPK13 (0.66) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL49873 0.79 KMT2A (0.65) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29434816 0.79 KMT2A (0.65) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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-10208001-B2 Process for preparing 1,4-dibenzodiazepines via Buchwald-Hartwig chemistry UNIVERSIDADE DE EVORA (PT) 2019-02-19 US disclosed
US-20180105502-A1 PROCESS FOR PREPARING 1,4-DIBENZODIAZEPINES VIA BUCHWALD-HARTWIG CHEMISTRY UNIVERSIDADE DE EVORA (PT) 2018-04-19 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-10208001-B2 Process for preparing 1,4-dibenzodiazepines via Buchwald-Hartwig chemistry HRH2, HRH4, HRH1 ALDH1A1 235/4885MAPT 4241/4885SMN1; SMN2 3533/4885
US-20180105502-A1 PROCESS FOR PREPARING 1,4-DIBENZODIAZEPINES VIA BUCHWALD-HARTWIG CHEMISTRY HRH2, HRH4, HRH1 ALDH1A1 235/4885MAPT 4241/4885SMN1; SMN2 3533/4885

“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.