SCHEMBL7651829

SCHEMBL7651829

N#Cc1ccc2[nH]c(CNC(=O)c3ccccc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
MAPK10 P53779 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 4/20 0.50
IRAK4 Q9NWZ3 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.46
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 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
SCHEMBL7651832 0.91 SMN1; SMN2 (0.73) SMN1; SMN2MAPK10ALDH1A1MAPTTSHR
SCHEMBL23459074 0.87 PIN1 (0.46) SMN1; SMN2MAPK10TSHRIRAK4RAB9A
SCHEMBL6531634 0.82 SMN1; SMN2 (0.63) SMN1; SMN2MAPK10ALDH1A1MAPTTSHR
SCHEMBL7080320 0.81 MAPT (0.73) SMN1; SMN2MAPK10ALDH1A1MAPTTSHR
SCHEMBL7661749 0.80 SMN1; SMN2 (0.61) SMN1; SMN2MAPK10ALDH1A1MAPTTSHR
SCHEMBL4069583 0.77 PIN1 (0.49) SMN1; SMN2MAPK10ALDH1A1MAPTIRAK4
SCHEMBL28878687 0.77 CACNA1H (0.50) SMN1; SMN2MAPK10TSHRKMT2A
SCHEMBL29919172 0.77 CACNA1H (0.50) SMN1; SMN2MAPK10TSHRKMT2A
SCHEMBL8133021 0.75 SMN1; SMN2 (0.52) SMN1; SMN2MAPK10ALDH1A1MAPTTSHR
SCHEMBL8133024 0.75 SMN1; SMN2 (0.52) SMN1; SMN2MAPK10ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 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-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B SMN1; SMN2 1095/4885MAPK10 2457/4885ALDH1A1 2485/4885

“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.