SCHEMBL257671

SCHEMBL257671

COC(=O)c1c(C(C)C)cc(C(=O)c2ccccc2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB1 P18505 1/20 0.46
TSHR P16473 1/20 0.44
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
PABPC1 P11940 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
SCHEMBL257680 0.86 GABRA1 (0.50) GABRA1GABRB1BCL2MCL1PTGS1
SCHEMBL15197142 0.85 GABRA1 (0.49) GABRA1GABRB1BCL2MCL1PTGS1
SCHEMBL15100749 0.81 TSHR (0.46) GABRA1TSHRNPC1RAB9AHTT
SCHEMBL256766 0.80 TSHR (0.42) GABRA1TSHRNPC1RAB9AHTT
SCHEMBL15198839 0.77 ALDH1A1 (0.43) GABRA1TSHRNPC1RAB9AHTT
SCHEMBL13456144 0.77 KDM4E (0.35) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10938454 0.73 HDAC10 (0.55) GABRA1TSHRPTGS1PTGS2NPC1
SCHEMBL256769 0.71 ALDH1A1 (0.42) NPC1RAB9AHTTLMNACYP1A2
SCHEMBL10308265 0.70 MAPK14 (0.50) TSHRGAAHPGDALDH1A1MAPK14
SCHEMBL10940181 0.70 TSHR (0.55) TSHRRAB9AHTTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO 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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 GABRA1 3213/4885GABRB1 2434/4885TSHR 914/4885

“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.