SCHEMBL83644

SCHEMBL83644

O=C(CCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ EPHX2 P34913 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ OPRD1 P41143 1/20 0.37
▸ TLR2 O60603 3/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ TLR1 Q15399 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36

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
SCHEMBL31309796 1.00 KMT2A (0.51) KMT2AEPHX2LMNASMN1; SMN2OPRD1
SCHEMBL31310023 1.00 KMT2A (0.51) KMT2AEPHX2LMNASMN1; SMN2OPRD1
SCHEMBL23200433 0.99 KMT2A (0.50) KMT2AEPHX2LMNASMN1; SMN2OPRD1
SCHEMBL30895588 0.99 KMT2A (0.50) KMT2AEPHX2LMNASMN1; SMN2OPRD1
SCHEMBL31284330 0.99 KMT2A (0.50) KMT2AEPHX2LMNASMN1; SMN2OPRD1
SCHEMBL20450592 0.99 KMT2A (0.50) KMT2AEPHX2LMNASMN1; SMN2OPRD1
SCHEMBL30895429 0.99 KMT2A (0.50) KMT2AEPHX2LMNASMN1; SMN2OPRD1
SCHEMBL31013228 0.99 KMT2A (0.50) KMT2AEPHX2LMNASMN1; SMN2OPRD1
SCHEMBL9989977 0.99 KMT2A (0.50) KMT2AEPHX2LMNASMN1; SMN2OPRD1
SCHEMBL29887767 0.99 KMT2A (0.50) KMT2AEPHX2LMNASMN1; SMN2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079781-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2018-03-22 — — US 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
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-9822144-B2 Benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-21 — — 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-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-9676794-B2 Benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 — — US disclosed
US-20170073357-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2017-03-16 — — 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-20170057959-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2017-03-02 — — US disclosed
US-9527871-B2 Benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 — — 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
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-20160200742-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2016-07-14 — — US disclosed
US-8129505-B2 Formed by catalytic polymerization; antibody conjugates UCB PHARMA S.A. (BE) 2012-03-06 — — US disclosed
US-7560284-B2 Fine particles containing rare earth element and fluorescent probe using the same DAI NIPPON PRINTING CO., LTD. (JP) 2009-07-14 — — US disclosed
US-20080292520-A1 FINE PARTICLES CONTAINING RARE EARTH ELEMENT AND FLUORESCENT PROBE USING THE SAME MATSUURA DAISUKE 2008-11-27 — — US disclosed
US-20080220005-A1 Comb Polymers UCB PHARMA S.A. (BE) 2008-09-11 — — 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 (9 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 KMT2A 874/4885EPHX2 1151/4885LMNA 3208/4885
US-20170073357-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 KMT2A 874/4885EPHX2 1151/4885LMNA 3208/4885
US-20160199510-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KMT2A 934/4885EPHX2 1012/4885LMNA 3286/4885
US-20170233392-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KMT2A 934/4885EPHX2 1012/4885LMNA 3286/4885
US-20170057959-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KMT2A 934/4885EPHX2 1012/4885LMNA 3286/4885
US-20180037581-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KMT2A 934/4885EPHX2 1012/4885LMNA 3286/4885
US-20080220005-A1 Comb Polymers C9, F13B, PYM1 KMT2A 1777/4885EPHX2 315/4885LMNA 1196/4885
US-20170233436-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 KMT2A 874/4885EPHX2 1151/4885LMNA 3208/4885
US-20180079781-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 KMT2A 874/4885EPHX2 1151/4885LMNA 3208/4885

“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.

Send feedback