SCHEMBL4278249

SCHEMBL4278249

OCc1cc(CO)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 2/20 0.44
RAD52 P43351 2/20 0.44
GLA P06280 2/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
TTR P02766 1/20 0.44
GAA P10253 1/20 0.44
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44
TYMS P04818 1/20 0.41
MAOA P21397 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 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
SCHEMBL3970182 0.86 KDM4E (0.49) KDM4EALDH1A1HPGDPOLBRAD52
SCHEMBL526457 0.84 CYP1A2 (0.58) KDM4EALDH1A1HPGDPOLBRAB9A
SCHEMBL13007626 0.84 MAOA (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3564800 0.84 MAOA (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4197109 0.81 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3964728 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4264705 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7068027 0.80 ALOX15 (0.58) KDM4EALDH1A1HPGDPOLBLMNA
SCHEMBL8673292 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL3972718 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDPOLBRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3245207-B1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL MYERS SQUIBB CO (US) 2019-08-21 EP disclosed
US-20180037581-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL MYERS SQUIBB CO (US) 2018-02-08 US disclosed
EP-3245207-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING Bristol-Myers Squibb Company (US) 2017-11-22 EP disclosed
US-9822112-B2 Heteroarylene-bridged benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MEYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
US-20170233392-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2017-08-17 US disclosed
US-9676775-B2 Heteroarylene-bridged benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 US disclosed
US-20170057959-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2017-03-02 US disclosed
US-9526801-B2 Heteroarylene-bridged benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
WO-2016115201-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-21 WO disclosed
US-20160199510-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2016-07-14 US disclosed
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 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 (4 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-20160199510-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KDM4E 2217/4885ALDH1A1 304/4885HPGD 969/4885
US-20170233392-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KDM4E 2217/4885ALDH1A1 304/4885HPGD 969/4885
US-20170057959-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KDM4E 2217/4885ALDH1A1 304/4885HPGD 969/4885
US-20180037581-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KDM4E 2217/4885ALDH1A1 304/4885HPGD 969/4885

“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.