SCHEMBL7659959

SCHEMBL7659959

CC(=O)NCCc1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.48
CTSS P25774 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 2/20 0.43
MAPT P10636 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
F9 P00740 1/20 0.41

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
SCHEMBL7659965 0.90 HTT (0.63) HTTSMN1; SMN2CTSSLMNAALDH1A1
SCHEMBL7654751 0.79 HTT (0.64) HTTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL23459074 0.79 PIN1 (0.46) SMN1; SMN2TSHR
SCHEMBL16136353 0.78 HTT (1.00) HTTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL4069583 0.77 PIN1 (0.49) SMN1; SMN2ALDH1A1MAPT
SCHEMBL12618999 0.76 MAPT (0.65) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL7655130 0.76 RAD52 (0.50) SMN1; SMN2ALDH1A1MAPT
SCHEMBL7653718 0.76 TDP1 (0.47)
SCHEMBL7765425 0.76 DDAH1 (0.53) HTTGAA
SCHEMBL11303548 0.76 POLB (0.46) ALDH1A1MAPTTSHR

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 HTT 1871/4885SMN1; SMN2 1095/4885CTSS 3513/4885

“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.