SCHEMBL3086865

SCHEMBL3086865

CN1C(=O)c2cc3ccccc3n2C1=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
DAO P14920 1/20 0.40
NOTUM Q6P988 1/20 0.40
TNFRSF1A P19438 3/20 0.39
CA12 O43570 1/20 0.37
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
CA9 Q16790 1/20 0.37
KAT2B Q92831 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
LMNA P02545 1/20 0.37
MCL1 Q07820 1/20 0.37
KLK7 P49862 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL3086867 0.78 KMT2A (0.43) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL3201336 0.69 PIM1 (0.44) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL16179948 0.68 RAB9A (0.47) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL31717960 0.68 RAB9A (0.47) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL3201330 0.68 PIM1 (0.67) KMT2AALDH1A1NOTUMAPPTSHR
SCHEMBL13232185 0.67 ELANE (0.38) KMT2AALDH1A1HPGDDAOBRD4
SCHEMBL10103705 0.65 KMT2A (0.76) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL13232186 0.65 GFER (0.43) KMT2AALDH1A1HPGDBRD4LMNA
SCHEMBL10831865 0.65 HTR2A (0.39) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL28401088 0.65 NOTUM (0.38) KMT2AALDH1A1KDM4EHPGDDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US disclosed
US-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2008-02-14 US disclosed
EP-1846383-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY Insight Biopharmaceuticals Ltd. (IL) 2007-10-24 EP disclosed
WO-2006072953-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2006-07-13 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-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity HPSE, HEXA, GAA KMT2A 1428/4885ALDH1A1 2428/4885KDM4E 2167/4885

“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.