SCHEMBL7654762

SCHEMBL7654762

CC(=O)NCCc1nc2ccc(C=O)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.47
HDAC1 Q13547 4/20 0.47
LMNA P02545 1/20 0.46
F9 P00740 3/20 0.46
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7654751 0.90 HTT (0.64) HTTSMN1; SMN2POLBLMNAF9
SCHEMBL7659965 0.79 HTT (0.63) HTTSMN1; SMN2POLBLMNAF9
SCHEMBL16136353 0.79 HTT (1.00) HTTSMN1; SMN2LMNAGAATHRB
SCHEMBL7649879 0.77 TDP1 (0.59) POLBHDAC1LMNAMEN1KMT2A
SCHEMBL7656691 0.76 KMT2A (0.47) POLBHDAC1LMNAMEN1KMT2A
SCHEMBL13931447 0.74 SMN1; SMN2 (0.42) SMN1; SMN2POLBHDAC1KMT2AGAA
SCHEMBL14400729 0.74 CACNA1H (0.51) SMN1; SMN2POLBHDAC1KDM4E
SCHEMBL5031699 0.73 KDM4E (0.61) POLBHDAC1CYP3A4CYP2D6CYP2C9
SCHEMBL7661756 0.73 SMN1; SMN2 (0.71) HTTSMN1; SMN2POLBHDAC1KMT2A
SCHEMBL7659959 0.72 HTT (0.63) HTTSMN1; SMN2LMNAF9GAA

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 1095/4885POLB 31/4885

“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.