SCHEMBL18949798

SCHEMBL18949798

COc1cc2c(cc1OCc1ccccc1)NC(=O)[C@@H]1Cc3ccccc3CN1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.49
CRBN Q96SW2 1/20 0.46
IKZF3 Q9UKT9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
CHRNA7 P36544 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AGTR2 P50052 1/20 0.41
GRIN1 Q05586 3/20 0.39
CISD1 Q9NZ45 1/20 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
SCHEMBL18063589 1.00 PDE4B (0.49) PDE4BCRBNIKZF3ALDH1A1HTR2A
SCHEMBL19035903 0.91 CRBN (0.47) PDE4BCRBNIKZF3ALDH1A1GRIN1
SCHEMBL38659705 0.90 CRBN (0.48) PDE4BCRBNIKZF3ALDH1A1HTR2A
SCHEMBL18929514 0.90 PDE4B (0.46) PDE4BCRBNIKZF3ALDH1A1HTR2A
SCHEMBL31151947 0.89 CRBN (0.46) PDE4BCRBNIKZF3ALDH1A1HTR2A
SCHEMBL18087015 0.87 ALDH1A1 (0.48) PDE4BCRBNALDH1A1HTR2AHTR2C
SCHEMBL17918579 0.87 ALDH1A1 (0.48) PDE4BCRBNALDH1A1HTR2AHTR2C
SCHEMBL15821845 0.85 CRBN (0.48) PDE4BCRBNIKZF3ALDH1A1HTR2A
SCHEMBL18929351 0.85 CRBN (0.48) PDE4BCRBNIKZF3ALDH1A1HTR2A
SCHEMBL31151999 0.85 CRBN (0.48) PDE4BCRBNIKZF3ALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20170233392-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 PDE4B 4745/4885CRBN 350/4885IKZF3 1809/4885
US-20180037581-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 PDE4B 4745/4885CRBN 350/4885IKZF3 1809/4885
US-20170233436-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 PDE4B 4327/4885CRBN 286/4885IKZF3 1768/4885
US-20180079781-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 PDE4B 4327/4885CRBN 286/4885IKZF3 1768/4885

“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.