SCHEMBL2850412

SCHEMBL2850412

CCc1[nH]c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2OC)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.43
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
PIK3CD O00329 3/20 0.36
GPR119 Q8TDV5 3/20 0.36
USP30 Q70CQ3 2/20 0.35
HTR4 Q13639 1/20 0.34
F10 P00742 2/20 0.34

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
SCHEMBL2850410 1.00 PARP1 (0.43) PARP1HDAC4HDAC6PIK3CDGPR119
SCHEMBL2845812 0.92 PARP1 (0.42) PARP1HDAC4HDAC6PIK3CDGPR119
SCHEMBL2845816 0.92 PARP1 (0.42) PARP1HDAC4HDAC6PIK3CDGPR119
SCHEMBL2848728 0.89 HTR4 (0.35) HTR4
SCHEMBL2848733 0.89 HTR4 (0.35) HTR4
SCHEMBL2855276 0.88 PARP1 (0.43) PARP1HDAC4HDAC6GPR119USP30
SCHEMBL2852283 0.88 PARP1 (0.43) PARP1HDAC4HDAC6PIK3CDGPR119
SCHEMBL2855278 0.88 PARP1 (0.43) PARP1HDAC4HDAC6GPR119USP30
SCHEMBL2854582 0.88 PARP1 (0.43) PARP1PIK3CDGPR119USP30F10
SCHEMBL2854585 0.88 PARP1 (0.43) PARP1PIK3CDGPR119USP30F10

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
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PARP1 21/4885HDAC4 82/4885HDAC6 427/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PARP1 10/4885HDAC4 48/4885HDAC6 279/4885

“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.