SCHEMBL14909376

SCHEMBL14909376

Cn1nc(F)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 4/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
CNR2 P34972 4/20 0.43
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP1A2 P05177 1/20 0.41
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
GRK5 P34947 1/20 0.39
LIMK1 P53667 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
CTRB1 P17538 1/20 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
SCHEMBL14908618 0.88 L3MBTL1 (0.62) L3MBTL1MAPTCYP3A4TSHRCNR2
SCHEMBL3380500 0.83 L3MBTL1 (0.52) L3MBTL1MAPTCYP3A4TSHRCNR2
SCHEMBL26621652 0.81 L3MBTL1 (0.51) L3MBTL1MAPTCYP3A4TSHRCNR2
SCHEMBL19586107 0.81 L3MBTL1 (0.51) L3MBTL1MAPTCYP3A4TSHRCNR2
SCHEMBL30955734 0.81 L3MBTL1 (0.51) L3MBTL1MAPTCYP3A4TSHRCNR2
SCHEMBL30734745 0.81 L3MBTL1 (0.51) L3MBTL1MAPTCYP3A4TSHRCNR2
SCHEMBL14909721 0.81 CYP1A2 (0.48) L3MBTL1MAPTCYP3A4TSHRCNR2
SCHEMBL2851292 0.81 L3MBTL1 (0.51) L3MBTL1MAPTCYP3A4CNR2ALDH1A1
SCHEMBL14923643 0.81 CNR2 (0.42) L3MBTL1MAPTCNR2ALDH1A1HIF1A
SCHEMBL3694723 0.81 L3MBTL1 (0.51) L3MBTL1MAPTCYP3A4CNR2ALDH1A1

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 L3MBTL1 4344/4885MAPT 4186/4885CYP3A4 4411/4885

“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.