SCHEMBL7652952

SCHEMBL7652952

Nc1ccc(-c2nc3cc(-c4ccccc4)ccc3[nH]2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.56
ALDH1A1 P00352 10/20 0.56
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
KDM4E B2RXH2 9/20 0.56
HPGD P15428 9/20 0.56
MAPT P10636 8/20 0.56
PKM P14618 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HSD17B10 Q99714 5/20 0.52
TP53 P04637 4/20 0.52
PRMT1 Q99873 1/20 0.51
GAA P10253 4/20 0.50
GFER P55789 2/20 0.50
GLA P06280 2/20 0.50
HTT P42858 1/20 0.50
RCE1 Q9Y256 1/20 0.50
POLB P06746 5/20 0.49

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
SCHEMBL7653231 1.00 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL7652960 0.88 KDM4E (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL8174405 0.88 KDM4E (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL8130390 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL7659118 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL22649095 0.86 NPC1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL8148043 0.84 NPC1 (0.75) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL14837509 0.83 MAPT (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL417825 0.83 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL9112601 0.83 PRMT1 (0.68) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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 1095/4885ALDH1A1 2485/4885NPC1 2875/4885

“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.