SCHEMBL914308

SCHEMBL914308

COc1cc2nc(-c3ccc(C)c(C)c3)oc(=O)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 5/20 0.60
HPGD P15428 3/20 0.60
NPC1 O15118 2/20 0.60
KLK7 P49862 8/20 0.58
KLK14 Q9P0G3 8/20 0.58
KLK5 Q9Y337 8/20 0.58
CTSG P08311 6/20 0.58
HSD17B10 Q99714 2/20 0.58
CTRC Q99895 2/20 0.58
MAPT P10636 2/20 0.58
PTK2B Q14289 1/20 0.58
MAPK1 P28482 1/20 0.57
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ELANE P08246 2/20 0.49
HTT P42858 1/20 0.49
F2 P00734 1/20 0.47

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
SCHEMBL22952908 0.89 KLK7 (0.67) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL915062 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL17554019 0.84 KLK7 (0.72) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL914010 0.83 KDM4E (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL914160 0.83 KLK7 (0.60) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8499615 0.82 KMT2A (0.70) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL914043 0.81 HSD17B10 (0.63) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8493678 0.81 MEN1 (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12352148 0.80 HSD17B10 (0.65) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL22272031 0.79 MEN1 (1.00) KMT2AMEN1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 US claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 US disclosed
WO-1999048878-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 1999-09-30 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 KMT2A 2584/4885MEN1 1609/4885ALDH1A1 584/4885

“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.