SCHEMBL7656691

SCHEMBL7656691

COCCc1nc2ccc(C=O)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
HDAC1 Q13547 3/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 4/20 0.41
PKM P14618 3/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNJ1 P48048 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAD52 P43351 1/20 0.40
UBE2N P61088 1/20 0.40
IDO1 P14902 1/20 0.40
CACNA1H O95180 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL7655788 0.89 CACNA1H (0.40) KMT2APOLBMAPTMEN1LMNA
SCHEMBL7649879 0.78 TDP1 (0.59) KMT2APOLBHDAC1KDM4EMAPT
SCHEMBL5031699 0.77 KDM4E (0.61) KMT2APOLBHDAC1KDM4EMAPT
SCHEMBL29737966 0.77 APEX1 (0.69) HDAC1MAPTPKMGAATDP1
SCHEMBL7654762 0.76 HTT (0.64) KMT2APOLBHDAC1KDM4EMAPT
SCHEMBL7653331 0.75 GRIN1 (0.53) KMT2APOLBMAPTGAAMEN1
SCHEMBL9039049 0.74 POLB (0.66) POLBKDM4EMAPTPKMLMNA
SCHEMBL13931447 0.73 SMN1; SMN2 (0.42) KMT2APOLBHDAC1KDM4EPKM
SCHEMBL4230805 0.72 ALDH1A1 (0.56) KMT2APOLBKDM4EMAPTPKM
SCHEMBL4241828 0.72 CYP2C9 (0.35) KMT2APOLBHDAC1MAPTMEN1

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 KMT2A 940/4885POLB 31/4885HDAC1 149/4885

“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.