SCHEMBL7712358

SCHEMBL7712358

COc1cc2c(cc1O)NC(=O)[C@@H]1CCCN1C2=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ACHE P22303 2/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 3/20 0.43
EGFR P00533 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 2/20 0.41
CHEK1 O14757 1/20 0.41
MAP2K1 Q02750 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39

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
SCHEMBL20863884 1.00 ALOX15 (0.47) ALOX15HSD17B10ACHEKDM4EALDH1A1
SCHEMBL20975292 0.96 ALOX15 (0.44) ALOX15HSD17B10ACHEKDM4EALDH1A1
SCHEMBL8391839 0.90 ALOX15 (0.48) ALOX15HSD17B10KDM4EALDH1A1MAPT
SCHEMBL18929350 0.83 EGFR (0.42) HSD17B10ACHEKDM4EALDH1A1MAPT
SCHEMBL22561194 0.83 EGFR (0.40) ACHEALDH1A1KMT2AMEN1EGFR
SCHEMBL18690303 0.83 EGFR (0.40) ACHEALDH1A1KMT2AMEN1EGFR
SCHEMBL16661984 0.81 EGFR (0.40) ALOX15HSD17B10ACHEKDM4EALDH1A1
SCHEMBL7709738 0.80 EGFR (0.41) ACHEKDM4EALDH1A1MAPTKMT2A
SCHEMBL10771699 0.80 EGFR (0.41) ACHEKDM4EALDH1A1MAPTKMT2A
SCHEMBL16661999 0.80 HTR2B (0.43) ACHEALDH1A1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024235121-A1 FUSED RING COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed
WO-2020196474-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE 第一三共株式会社 2020-10-01 WO disclosed
EP-3245213-B1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL MYERS SQUIBB CO (US) 2020-03-04 EP disclosed
US-20180079781-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2018-03-22 US disclosed
US-9902740-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-9822144-B2 Benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
US-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY 2017-09-14 US disclosed
US-20170233436-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2017-08-17 US disclosed
US-9688694-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
US-9676794-B2 Benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 US disclosed
US-20160207949-A1 NOVEL CYTOTOXIC AGENTS FOR CONJUGATION TO A CELL BINDING MOLECULE HANGZHOU DAC BIOTECH CO., LTD (CN) 2016-07-21 US disclosed
US-20160200742-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2016-07-14 US disclosed
US-20150315196-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINES-DIMERS FOR USE IN THE TREATMENT OF PROLIFERATIVE AND AUTOIMMUNE DISEASES MEDIMMUNE LIMITED (GB) 2015-11-05 US disclosed
US-20150315196-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINES-DIMERS FOR USE IN THE TREATMENT OF PROLIFERATIVE AND AUTOIMMUNE DISEASES MEDIMMUNE LIMITED (GB) 2015-11-05 US disclosed
EP-2935273-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINES-DIMERS FOR USE IN THE TREATMENT OF PROLIFERATIVE AND AUTOIMMUNE DISEASES MedImmune Limited (GB) 2015-10-28 EP disclosed
WO-2014096365-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINES-DIMERS FOR USE IN THE TREATMENT OF PROLIFERATIVE AND AUTOIMMUNE DISEASES SPIROGEN SÀRL (CH) 2014-06-26 WO disclosed
WO-2014096365-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINES-DIMERS FOR USE IN THE TREATMENT OF PROLIFERATIVE AND AUTOIMMUNE DISEASES SPIROGEN SÀRL (CH) 2014-06-26 WO disclosed
US-8383618-B2 C2-fluoro substituted piperazine linked pyrrolo[2,1-C][1,4] benzodiazepine dimers and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-02-26 US disclosed
US-20070259858-A1 Novel bis-pyrrolo[2,1-c][1,4]benzodiazepine-anthraquinone conjugates and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-11-08 US disclosed
US-6362331-B1 PYRROLO(2,1-C)(1,4)BENZODIAZEPINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-03-26 US 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 (7 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-20160200742-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 ALOX15 3715/4885HSD17B10 1320/4885ACHE 1982/4885
US-20070259858-A1 Novel bis-pyrrolo[2,1-c][1,4]benzodiazepine-anthraquinone conjugates and a process for the preparation thereof GABRA4, GABRA1, GABRA5 ALOX15 1458/4885HSD17B10 755/4885ACHE 4399/4885
US-20160207949-A1 NOVEL CYTOTOXIC AGENTS FOR CONJUGATION TO A CELL BINDING MOLECULE PDCD5, CD4, PDCD6 ALOX15 3128/4885HSD17B10 3624/4885ACHE 4795/4885
US-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES GABRA1, GABRA2, GABRA3 ALOX15 3555/4885HSD17B10 1802/4885ACHE 1917/4885
US-20150315196-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINES-DIMERS FOR USE IN THE TREATMENT OF PROLIFERATIVE AND AUTOIMMUNE DISEASES SSB, IL17A, CCNI ALOX15 1110/4885HSD17B10 1777/4885ACHE 4717/4885
US-20170233436-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 ALOX15 3715/4885HSD17B10 1320/4885ACHE 1982/4885
US-20180079781-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 ALOX15 3715/4885HSD17B10 1320/4885ACHE 1982/4885

“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.