SCHEMBL914239

SCHEMBL914239

O=c1oc(-c2cccs2)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
ALDH1A1 P00352 7/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
HPGD P15428 3/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.64
F2 P00734 1/20 0.64
GAA P10253 2/20 0.58
MAPT P10636 2/20 0.58
HSD17B10 Q99714 4/20 0.58
MAPK1 P28482 1/20 0.58
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
CASP1 P29466 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MCOLN3 Q8TDD5 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
SCHEMBL913449 0.81 ALDH1A1 (1.00) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL13701234 0.81 ALDH1A1 (0.72) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL3452610 0.80 ELANE (0.60) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL915806 0.79 HSD17B10 (0.67) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL913374 0.78 ALDH1A1 (1.00) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL8070379 0.78 KDM4E (0.75) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL914657 0.77 F7 (0.81) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL13700976 0.77 ALDH1A1 (0.66) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL914467 0.76 C1R (0.67) MEN1KMT2AF2MAPTF7
SCHEMBL13700979 0.75 ALDH1A1 (0.67) KDM4EALDH1A1MEN1KMT2AHPGD

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-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
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 WO 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

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 KDM4E 1362/4885ALDH1A1 584/4885MEN1 1609/4885

“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.