SCHEMBL14910262

SCHEMBL14910262

COCCn1nc(F)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ DCTPP1 Q9H773 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ MPO P05164 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL14910863 0.84 TDP1 (0.39) ALDH1A1TDP1KMT2AMAPTHTT
SCHEMBL10076076 0.80 TDP1 (0.36) DCTPP1ALDH1A1TDP1KMT2AMAPT
SCHEMBL25173418 0.79 NPC1 (0.32) DCTPP1ALDH1A1LMNATDP1RECQL
SCHEMBL25458468 0.78 DCTPP1 (0.31) DCTPP1ALDH1A1LMNATDP1RECQL
SCHEMBL14910175 0.78 KDR (0.44) KDRFLT3ALDH1A1LMNATDP1
SCHEMBL14910632 0.75 TDP1 (0.41) DCTPP1IRAK4ALDH1A1LMNATDP1
SCHEMBL30860975 0.75 TDP1 (0.41) DCTPP1IRAK4ALDH1A1LMNATDP1
SCHEMBL15312617 0.69 CSF1R (0.34) DCTPP1ALDH1A1LMNATDP1L3MBTL1
SCHEMBL16899210 0.69 ADORA2A (0.40) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL30672841 0.69 GAA (0.47) ALDH1A1LMNATDP1HTTGAA

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 14 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
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 — — CN 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 KDR 403/4885FLT3 46/4885DCTPP1 3319/4885

“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.

Send feedback