SCHEMBL14923429

SCHEMBL14923429

COc1ccnc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.57
PDGFRA P16234 3/20 0.53
KDR P35968 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 4/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PDGFRB P09619 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL15910663 0.88 ALDH1A1 (0.60) HTTPDGFRAKDRTDP1ALDH1A1
SCHEMBL30122640 0.82 EGFR (0.40) HTTPDGFRAKDRTDP1ALDH1A1
SCHEMBL15537365 0.82 KDR (0.63) PDGFRAKDRPDGFRB
SCHEMBL2990677 0.80 MAPT (0.46) HTTTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL558651 0.79 PDGFRA (0.80) PDGFRAKDRPDGFRB
SCHEMBL5824446 0.79 PDGFRA (0.60) PDGFRAKDRABCG2PDGFRB
SCHEMBL3233739 0.79 KDR (0.49) PDGFRAKDR
SCHEMBL7014373 0.79 SRC (0.67) PDGFRAKDRABCG2KMT2AMEN1
SCHEMBL4910411 0.79 GPR35 (0.49) HTTTDP1ALDH1A1KMT2AMEN1
SCHEMBL1893582 0.78 PDGFRA (0.70) PDGFRAKDRPDGFRB

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 7 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-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-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

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 HTT 2347/4885PDGFRA 297/4885KDR 403/4885

“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.