SCHEMBL14928362

SCHEMBL14928362

CCCOc1ncc([N+](=O)[O-])cc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14910845 0.90 LMNA (0.51) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL3356597 0.89 ALDH1A1 (0.47) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL10076887 0.85 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL17585425 0.79 CCR5 (0.46) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL14928355 0.79 BRAF (0.46) MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL16168982 0.78 MAPT (0.39) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL14928321 0.74 CYP19A1 (0.38) MAPTALDH1A1CYP2C9SMN1; SMN2LMNA
SCHEMBL14928338 0.74 ALDH1A1 (0.39) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL14397720 0.74 KMT2A (0.54) MAPTALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL14928319 0.74 MAPT (0.43) MAPTALDH1A1CYP2C9SMN1; SMN2CYP2C19

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 3 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

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 4186/4885ALDH1A1 1638/4885CYP1A2 4413/4885

“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.