SCHEMBL16210657

SCHEMBL16210657

Cc1cc(CO)nn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.59
NOTUM Q6P988 2/20 0.49
ATM Q13315 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
KCNH2 Q12809 2/20 0.40
PTGS2 P35354 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2C9 P11712 4/20 0.39
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 3/20 0.37
CHRNA7 P36544 1/20 0.37
CYP2D6 P10635 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL12871781 0.86 POLB (0.43) POLBMAPTNOTUMATMCNR1
SCHEMBL16210674 0.85 POLB (0.43) POLBMAPTNOTUMATMCNR1
SCHEMBL5336030 0.83 MAPT (0.64) POLBMAPTCNR1CNR2PTGS2
SCHEMBL2218741 0.81 CASR (0.50) POLBMAPTNOTUMATMCNR1
SCHEMBL16804455 0.79 MAPT (0.63) POLBMAPTNOTUMPTGS2CA1
SCHEMBL5904523 0.79 GAA (0.54) MAPTATMCYP2C9CYP3A4KDM4E
SCHEMBL29328864 0.78 PTGS2 (0.51) MAPTATMKCNH2PTGS2CA1
SCHEMBL12177109 0.75 CA1 (0.65) KCNH2PTGS2CA1CA2CA9
SCHEMBL12859485 0.75 PDPK1 (0.43) ATMCNR1CNR2PTGS2CYP2C9
SCHEMBL1740586 0.74 POLB (0.57) POLBMAPTNOTUMKCNH2

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
EP-2805718-B1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME EA PHARMA CO LTD (JP) 2018-04-04 EP disclosed
US-9562043-B2 Heterocyclic amide derivative and pharmaceutical product containing same EA PHARMA CO., LTD. (JP) 2017-02-07 US disclosed
EP-2805718-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Ajinomoto Co., Inc. (JP) 2014-11-26 EP disclosed
US-20140329796-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AJINOMOTO CO., INC. (JP) 2014-11-06 US 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-20140329796-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TRPA1, TRPV1, TRPV2 POLB 4839/4885MAPT 1109/4885NOTUM 1084/4885

“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.