SCHEMBL2237685

SCHEMBL2237685

COC(=O)c1cc2c(cc1I)OC(C)(C)C(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
MAP3K5 Q99683 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL2240754 0.85 BRD4 (0.52) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL2246805 0.85 KDM4E (0.46) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL23011988 0.84 BRD4 (0.51) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL29706778 0.84 BRD4 (0.51) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL2241790 0.81 BRD4 (0.48) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL12361921 0.81 BRD4 (0.48) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL29267749 0.80 BRD4 (0.47) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL27822456 0.76 KDM4E (0.46) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL2238148 0.75 ALDH1A1 (0.69) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL756988 0.75 BRD4 (0.56) BRD4KDM4EALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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 (1 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 BRD4 67/4885KDM4E 2766/4885ALDH1A1 288/4885

“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.