SCHEMBL20162136

SCHEMBL20162136

O=C(/C=C/c1ccc2c(c1)CCN(C(=O)O)C2)Nc1cn(Cc2cc(F)c(F)c(F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.41
KCNH2 Q12809 1/20 0.40
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.36
BCHE P06276 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
EGFR P00533 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL20169940 0.89 HDAC1 (0.51) HDAC1KCNH2PARP1PARP2TAS2R8
SCHEMBL20169984 0.84 HDAC1 (0.36) HDAC1KCNH2PARP1PARP2TAS2R8
SCHEMBL20162156 0.77 TAS2R8 (0.38) TAS2R8HDAC6
SCHEMBL20330457 0.76 EGFR (0.42) HDAC1MAOBEGFRNPC1RAB9A
SCHEMBL20162146 0.73 TAS2R8 (0.51) TAS2R8HDAC6HPGD
SCHEMBL20364337 0.73 ESR2 (0.46) HDAC1TAS2R8HDAC6
SCHEMBL19304065 0.73 HDAC3 (0.45) HDAC1BCHEACHENPC1RAB9A
SCHEMBL20162148 0.72 RBP4 (0.34) NPC1
SCHEMBL19304366 0.70 ALDH1A1 (0.32) EGFRALDH1A1MAPTHPGD
SCHEMBL20162120 0.70 TAS2R8 (0.49) TAS2R8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 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-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 HDAC1 27/4885KCNH2 2201/4885PARP1 1297/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 HDAC1 27/4885KCNH2 2201/4885PARP1 1297/4885

“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.