SCHEMBL10076076

SCHEMBL10076076

O=[N+]([O-])c1cccc2c1c(F)nn2CC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.36
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ HTR3A P46098 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ DCTPP1 Q9H773 1/20 0.32

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) TDP1NOS1NOS2GPR35HSD17B10
SCHEMBL14910262 0.80 KDR (0.37) TDP1HSD17B10KMT2AMAPTHTT
SCHEMBL15081284 0.77 TDP1 (0.43) TDP1NOS1GPR35HTR3AHSD17B10
SCHEMBL25173418 0.76 NPC1 (0.32) TDP1HSD17B10ALDH1A1DCTPP1
SCHEMBL25458468 0.76 DCTPP1 (0.31) TDP1HSD17B10ALDH1A1DCTPP1
SCHEMBL15312617 0.74 CSF1R (0.34) TDP1NOS1NOS2MAPTALDH1A1
SCHEMBL30856403 0.74 CYP1A2 (0.41) KMT2AMAPTHTTALDH1A1
SCHEMBL30855874 0.73 KDM4E (0.30) MAPTHTT
SCHEMBL30856006 0.72 — —
SCHEMBL14908669 0.70 CNR2 (0.44) KMT2AMAPTSMN1; SMN2ACHE

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
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 — — 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK TDP1 2598/4885NOS1 792/4885NOS2 1052/4885

“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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