SCHEMBL257537

SCHEMBL257537

COCc1c(C)cccc1C(=O)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KAT6A Q92794 1/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 1/20 0.38
KLKB1 P03952 1/20 0.38

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
SCHEMBL15197235 0.83 CES2 (0.44) NPC1SMN1; SMN2KAT6ACYP3A4CYP2C9
SCHEMBL15100552 0.78 NPC1 (0.46) NPC1SMN1; SMN2KAT6APOLBCYP3A4
SCHEMBL16280257 0.78 ALDH1A1 (0.52) POLBCYP3A4CYP2C9KMT2AALDH1A1
SCHEMBL13248032 0.77 ACHE (0.44) SMN1; SMN2KMT2AALDH1A1KDM4EKLKB1
SCHEMBL257529 0.76 CTNNB1 (0.51) NPC1SMN1; SMN2KMT2AALDH1A1CES2
SCHEMBL257527 0.73 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AALDH1A1GAAMAPT
SCHEMBL257536 0.73 SMN1; SMN2 (0.44) NPC1SMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL16892196 0.73 ALB (0.50) NPC1SMN1; SMN2KMT2AALDH1A1CES2
SCHEMBL2704894 0.73 ALDH1A1 (0.48) SMN1; SMN2KAT6ACYP3A4CYP2C9KMT2A
SCHEMBL250099 0.73 CES2 (0.71) NPC1CYP2C9KMT2AALDH1A1CYP1A2

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 NPC1 1990/4885SMN1; SMN2 2704/4885KAT6A 2526/4885

“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.