SCHEMBL3375253

SCHEMBL3375253

COCCOc1ncc([N+](=O)[O-])cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 1/20 0.38
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL14928241 0.87 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL17512570 0.84 TSHR (0.44) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8986027 0.84 LMNA (0.44) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14910676 0.84 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14923663 0.83 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3357119 0.83 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1556607 0.82 MAPT (0.38) MAPTALDH1A1RAB9ANPC1CYP3A4
SCHEMBL8986078 0.80 LMNA (0.41) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL17883526 0.80 LMNA (0.38) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL16858413 0.79 SCN9A (0.43) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 MAPT 4186/4885SMN1; SMN2 2190/4885ALDH1A1 1638/4885

“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.