SCHEMBL14910728

SCHEMBL14910728

CCc1ncc(C(=O)OC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ FUT7 Q11130 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PSMD14 O00487 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 3/20 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
SCHEMBL24216949 0.86 LOXL2 (0.44) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL23167437 0.86 MAPK1 (0.42) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL24216361 0.82 MAPK1 (0.37) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL3374192 0.81 RAB9A (0.44) MAPK1KDM4EPOLBLMNACYP2C9
SCHEMBL31065611 0.81 KDM4E (0.46) MAPK1ATMKDM4EL3MBTL1LMNA
SCHEMBL20594420 0.81 KDM4E (0.46) MAPK1ATMKDM4EL3MBTL1LMNA
SCHEMBL1505587 0.81 MAPK1 (0.47) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL31444518 0.80 MAPK1 (0.49) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL29220843 0.80 KDM4E (0.50) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL4538933 0.80 MAPK1 (0.49) MAPK1ATMKDM4EL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 — — EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8772320-B2 — — 2014-07-08 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — 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 (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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK MAPK1 334/4885ATM 1941/4885KDM4E 2420/4885

“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.

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