SCHEMBL20155482

SCHEMBL20155482

O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.57
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HSPB1 P04792 3/20 0.51
MAPT P10636 2/20 0.51
TBXA2R P21731 3/20 0.50
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL31287851 0.91 PDE7A (0.54) PDE7AMEN1KMT2AALDH1A1HSPB1
SCHEMBL9236453 0.91 PDE7A (0.54) PDE7AMEN1KMT2AALDH1A1HSPB1
SCHEMBL21905001 0.85 MEN1 (0.51) PDE7AMEN1KMT2AALDH1A1HSPB1
SCHEMBL21904820 0.85 HSPB1 (0.71) PDE7AMEN1KMT2AALDH1A1HSPB1
SCHEMBL31395357 0.85 HSPB1 (0.71) PDE7AMEN1KMT2AALDH1A1HSPB1
SCHEMBL15067679 0.84 MAPT (0.53) PDE7AMEN1KMT2AALDH1A1HSPB1
SCHEMBL2967458 0.84 PDE7A (0.78) PDE7AMEN1KMT2AALDH1A1HSPB1
SCHEMBL28831074 0.84 PDE7A (0.52) PDE7AMEN1KMT2AALDH1A1MAPT
SCHEMBL29683621 0.84 HSPB1 (0.49) PDE7AMEN1KMT2AALDH1A1HSPB1
SCHEMBL11600913 0.83 MEN1 (0.73) PDE7AMEN1KMT2AALDH1A1HSPB1

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
CN-113226322-A Heterocyclic compounds as BET inhibitors 诺维逊生物股份有限公司 2021-08-06 CN disclosed
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-05-07 US 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 PDE7A 3287/4885MEN1 1644/4885KMT2A 329/4885
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 PDE7A 3974/4885MEN1 2253/4885KMT2A 463/4885
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors BET1, BRD4, PHKB PDE7A 3443/4885MEN1 1480/4885KMT2A 370/4885

“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.