Sugi Predict

Sugi Predict / Compounds / SCHEMBL864403

SCHEMBL864403

SCHEMBL864403

Cc1cc(Br)c([N+](=O)[O-])cc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.59
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CCR6 P51684 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NLRP1 Q9C000 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 5/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ GPR35 Q9HC97 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL6036755 0.89 CYP1A2 (0.52) CYP1A2ALDH1A1MAPTTDP1PKM
SCHEMBL8793429 0.89 CYP1A2 (0.52) CYP1A2ALDH1A1MAPTHSD17B10CYP2D6
SCHEMBL30291047 0.85 CYP1A2 (0.53) CYP1A2ALDH1A1MAPTTDP1HSD17B10
SCHEMBL616063 0.85 ALDH1A1 (0.50) CYP1A2ALDH1A1MAPTTDP1HSD17B10
SCHEMBL18398966 0.85 CYP1A2 (0.53) CYP1A2ALDH1A1MAPTTDP1HSD17B10
SCHEMBL29727863 0.84 CYP1A2 (0.57) CYP1A2ALDH1A1MAPTTDP1PKM
SCHEMBL21566 0.84 CYP1A2 (0.57) CYP1A2ALDH1A1MAPTTDP1PKM
SCHEMBL14029337 0.84 CYP1A2 (0.52) CYP1A2ALDH1A1MAPTTDP1PKM
SCHEMBL10549400 0.84 CYP1A2 (0.47) CYP1A2ALDH1A1MAPTTDP1HPGD
SCHEMBL5175796 0.84 MAPT (0.53) CYP1A2ALDH1A1MAPTTDP1PKM

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110862383-A Histone acetyltransferase P300 small-molecule inhibitor, medicinal composition thereof and application thereof 复旦大学 2020-03-06 — — CN disclosed
US-9138439-B2 Methods and compositions for modulating P300/CBP activity THE WISTAR INSTITUTE (US) 2015-09-22 — — US disclosed
US-9138439-B2 Methods and compositions for modulating P300/CBP activity THE WISTAR INSTITUTE (US) 2015-09-22 — — US disclosed
US-9138439-B2 Methods and compositions for modulating P300/CBP activity THE WISTAR INSTITUTE (US) 2015-09-22 — — US disclosed
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 — — US disclosed
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 — — US disclosed
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 — — US disclosed
US-20130345267-A1 METHODS AND COMPOSITIONS FOR MODULATING P300/CBP ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-12-26 — — US disclosed
US-8476458-B2 Methods and compositions for modulating P300/CBP activity THE WISTAR INSTITUTE (US) 2013-07-02 — — US disclosed
US-8476458-B2 Methods and compositions for modulating P300/CBP activity THE WISTAR INSTITUTE (US) 2013-07-02 — — US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 — — US disclosed
US-6323199-B1 AROMATIC HETEROCYCLIC HYDROXY AMINES OR AMIDES FOR TREATMENT OF INFLAMMATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-27 — — US disclosed
EP-1133486-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-19 — — EP disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 — — US disclosed
WO-2000032584-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2000-06-08 — — WO disclosed
EP-0986545-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-22 — — EP disclosed
WO-1998054159-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-03 — — WO disclosed
EP-0059884-B1 BENZOFURANE DERIVATIVES, THEIR PREPARATION AND USE SCHERING AKTIENGESELLSCHAFT (DE) 1985-05-22 — — EP disclosed
US-4411910-A Benzofuran derivatives and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 1983-10-25 — — US disclosed
EP-0059884-A1 Benzofurane derivatives, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1982-09-15 — — 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 (1 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-20130345267-A1 METHODS AND COMPOSITIONS FOR MODULATING P300/CBP ACTIVITY EP300, CREBBP, HDAC1 CYP1A2 4579/4885ALDH1A1 2328/4885MAPT 996/4885

“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.