SCHEMBL20155306

SCHEMBL20155306

Nc1ccc(Oc2ccc(Cl)cc2)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
MAPT P10636 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PDE7A Q13946 2/20 0.49
CYP3A4 P08684 2/20 0.46
PNLIP P16233 2/20 0.44
KCNH2 Q12809 2/20 0.41
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL31287768 0.89 MAOA (0.57) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL7190064 0.89 MAPT (0.54) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL21904888 0.82 TDP1 (0.52) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL1471874 0.82 MEN1 (0.45) MAOBMAPTMEN1ALDH1A1KMT2A
SCHEMBL29553590 0.81 MAOA (0.61) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL5552580 0.81 MAOA (0.52) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL11523227 0.81 MAPT (0.76) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL554722 0.81 MAOA (0.61) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL29845834 0.81 TTR (0.56) MAPTCYP2C9MEN1ALDH1A1KMT2A
SCHEMBL7186654 0.80 ALDH1A1 (0.58) MAPTMEN1ALDH1A1KMT2AKDM4E

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-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 US disclosed
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors NUVATION BIO INC. (US) 2021-12-07 US disclosed
EP-3873474-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS Nuvation Bio Inc. (US) 2021-09-08 EP disclosed
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-05-07 US disclosed
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
WO-2018086604-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO 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-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS BET1, BRD4, BRD3 MAOA 4703/4885MAOB 4510/4885MAPT 1234/4885
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 MAOA 4258/4885MAOB 3620/4885MAPT 1405/4885
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors BET1, BRD4, PHKB MAOA 3882/4885MAOB 3388/4885MAPT 1074/4885

“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.