SCHEMBL483178

SCHEMBL483178

O=C(Nc1ccccc1)c1cc[c]cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.66
SIRT1 Q96EB6 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HTT P42858 1/20 0.61
KCNK3 O14649 1/20 0.60
KCNK9 Q9NPC2 1/20 0.60
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
JAK2 O60674 1/20 0.56
TYK2 P29597 1/20 0.56
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55

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
SCHEMBL445135 0.92 PTPN1 (0.66) PTPN1SIRT1HDAC2HDAC8HDAC6
SCHEMBL4188342 0.90 NPC1 (0.52) PTPN1SIRT1HDAC2HDAC8HDAC6
SCHEMBL10886802 0.89 NPC1 (0.70) PTPN1SIRT1HDAC2HDAC8HDAC6
N-Phenylbenzamide SCHEMBL8372230 0.87 SIRT1 (0.80) PTPN1SIRT1HDAC2HDAC8HDAC6
SCHEMBL6804880 0.85 PTPN1 (0.79) PTPN1SIRT1NPC1RAB9AMEN1
SCHEMBL24202631 0.85 SIRT1 (0.83) PTPN1SIRT1HDAC2HDAC8HDAC6
N-Phenylbenzamide SCHEMBL31966 0.85 SIRT1 (0.83) PTPN1SIRT1HDAC2HDAC8HDAC6
N-Phenylbenzamide SCHEMBL5402750 0.85 SIRT1 (0.83) PTPN1SIRT1HDAC2HDAC8HDAC6
SCHEMBL1315526 0.85 PTPN1 (0.87) PTPN1SIRT1HDAC2HDAC8HDAC6
N-Phenylbenzamide SCHEMBL7787063 0.83 SIRT1 (0.80) PTPN1SIRT1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218374-B1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2021-12-29 EP claimed
CN-107108614-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2021-06-01 CN claimed
CN-105732624-B The preparation method and its usage of pyrroles [4,3,2-de] quinoline -2 (1H) -one class BRD4 protein inhibitor 中国药科大学 2019-08-02 CN claimed
US-10150767-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2018-12-11 US claimed
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US claimed
EP-3218374-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP claimed
CN-107108614-A It is used as the substituted pyrrolopyridine of Bu Luomo domain inhibitor 基因泰克公司 2017-08-29 CN claimed
CN-105732624-A Preparation method and application of pyrrole [4,3,2-de] quinoline-2-(1H)-ketone BRD4 protein inhibitor 中国药科大学 2016-07-06 CN claimed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
EP-0001629-B1 WATER-SOLUBLE, FIBRE-REACTIVE, GREEN AZO-PHTHALOCYANINE DYESTUFFS, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1981-08-12 EP claimed
US-4262851-A HIGH SPEED MILLING WITHOUT SURFACTANTS BASF AKTIENGESELLSCHAFT (DE) 1981-04-21 US claimed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 US claimed
US-4042591-A PIGMENTS, DISPERSE DYES SANDOZ LTD. (CH) 1977-08-16 US claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 US claimed

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-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 PTPN1 1333/4885SIRT1 155/4885HDAC2 21/4885
US-10150767-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 PTPN1 1333/4885SIRT1 155/4885HDAC2 21/4885

“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.