SCHEMBL5453314

SCHEMBL5453314

Cc1ccc(NC(=O)c2cccc(C(C)CC#N)c2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.54
LMNA P02545 6/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 3/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 11/20 0.49
KMT2A Q03164 11/20 0.49
ALDH1A1 P00352 4/20 0.49
ALOX12 P18054 1/20 0.49
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL5211619 0.83 BRAF (0.45) MAPTLMNANPC1RAB9AMEN1
SCHEMBL5212609 0.80 MAPT (0.52) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL3638332 0.79 KMT2A (0.58) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL29502906 0.77 MAPT (0.74) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL10005082 0.77 MAPT (0.74) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL1264517 0.76 MEN1 (0.62) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL1697857 0.76 MAPT (0.64) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL29877649 0.76 MAPT (0.64) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL3089202 0.76 MAPT (0.62) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL16430329 0.76 MAPT (0.62) MAPTLMNANPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 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-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 MAPT 4743/4885LMNA 4138/4885NPC1 4699/4885

“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.