SCHEMBL2964232

SCHEMBL2964232

CC(=O)Nc1cccc(-c2ccc(C)cc2[N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.54
BRD4 O60885 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NQO2 P16083 2/20 0.46
ALOX5 P09917 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.44

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
SCHEMBL2968594 0.85 TDP1 (0.51) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL2961823 0.79 HSD17B10 (0.59) SMN1; SMN2HSD17B10BRD4NPC1RAB9A
SCHEMBL14003396 0.78 HSD17B10 (0.63) SMN1; SMN2HSD17B10BRD4NPC1RAB9A
SCHEMBL2403398 0.78 FBP1 (0.53) FBP1SMN1; SMN2BRD4L3MBTL1NPC1
SCHEMBL2935107 0.77 HTT (0.69) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL2963623 0.77 MAPT (0.54) SMN1; SMN2HSD17B10L3MBTL1MAPTTDP1
SCHEMBL28670254 0.76 HTT (0.53) FBP1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL13680541 0.76 HSD17B10 (0.79) SMN1; SMN2HSD17B10NPC1RAB9ARXFP1
SCHEMBL2960968 0.76 ALDH1A1 (0.61) FBP1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL6321203 0.75 FBP1 (0.57) FBP1SMN1; SMN2L3MBTL1MAPTHTT

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-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 FBP1 2368/4885SMN1; SMN2 3135/4885HSD17B10 1572/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 FBP1 2368/4885SMN1; SMN2 3135/4885HSD17B10 1572/4885

“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.