SCHEMBL9657290

SCHEMBL9657290

Cc1noc(C)c1-c1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.62
BRD2 P25440 6/20 0.62
CREBBP Q92793 4/20 0.59
BRD3 Q15059 2/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MAP4K4 O95819 1/20 0.49
HDAC1 Q13547 1/20 0.48
ERN1 O75460 1/20 0.47
IKBKB O14920 1/20 0.46

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
SCHEMBL12487 0.82 NPC1 (0.69) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL16404612 0.79 BRD4 (0.62) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL16246450 0.79 BRD4 (0.62) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL980536 0.79 MAP4K4 (0.76) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL1772573 0.78 BRD4 (0.66) BRD4BRD2CREBBPBRD3ERN1
Hydrochloric Acid SCHEMBL1016039 0.78 MAP4K4 (0.73) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL5714189 0.78 BRD4 (0.61) BRD4BRD2CREBBPBRD3NPC1
3,5-Dimethyl-4-Phenylisoxazole SCHEMBL12134072 0.77 BRD4 (1.00) BRD4BRD2CREBBP
SCHEMBL24726640 0.77 BRD4 (0.78) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL10145031 0.77 BRD4 (0.59) BRD4BRD2CREBBPBRD3NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050075-B Biaryl ring BET inhibitor and synthetic method and application thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117050075-A Biaryl ring BET inhibitor and synthetic method and application thereof 中国药科大学 2023-11-14 CN disclosed
US-11538999-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-27 US disclosed
CN-107540614-B Heterocyclic compound and organic light emitting device including the same 三星显示有限公司 2022-10-14 CN disclosed
EP-3263558-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2022-04-13 EP disclosed
WO-2021143729-A1 COMPOUND, COMPOSITION AND FUNCTIONAL MOLECULE WITH MULTI-TARGET INHIBITING EFFECT AND USE THEREOF 中国科学院上海药物研究所 2021-07-22 WO disclosed
EP-3263558-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2018-01-03 EP disclosed
US-20170373256-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-28 US disclosed
US-5128335-A Antibiotics MERCK & CO., INC. (US) 1992-07-07 US disclosed
EP-0481662-A1 2-Heteroarylphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-04-22 EP 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-11538999-B2 Heterocyclic compound and organic light-emitting device including the same CCNT1, CYP1A1, CRY1 BRD4 688/4885BRD2 912/4885CREBBP 2966/4885
US-20170373256-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CYP1A1, CRY1 BRD4 688/4885BRD2 912/4885CREBBP 2966/4885

“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.