SCHEMBL914683

SCHEMBL914683

O=c1ocnc2sc3c(c12)CCCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.55
CHEK1 O14757 1/20 0.55
TSHR P16473 1/20 0.55
GAA P10253 1/20 0.54
APP P05067 1/20 0.54
HPGD P15428 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ELANE P08246 4/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LIMK1 P53667 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50

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
SCHEMBL914341 0.98 GAA (0.56) KMT2AHTTCHEK1TSHRGAA
SCHEMBL914053 0.97 NPSR1 (0.55) KMT2AHTTCHEK1TSHRGAA
SCHEMBL913457 0.81 LIMK1 (0.50) KMT2AHTTCHEK1TSHRGAA
SCHEMBL914020 0.79 LIMK1 (0.51) KMT2AHTTCHEK1TSHRGAA
SCHEMBL914350 0.77 LIMK1 (0.50) KMT2AHTTCHEK1TSHRGAA
SCHEMBL913451 0.74 SMN1; SMN2 (0.45) KMT2AHTTCHEK1TSHRGAA
SCHEMBL923863 0.73 GAA (0.46) KMT2AHTTCHEK1TSHRGAA
SCHEMBL913458 0.72 HTT (0.56) KMT2AHTTCHEK1TSHRGAA
SCHEMBL913911 0.71 NPSR1 (0.44) KMT2AHTTCHEK1TSHRGAA
SCHEMBL736600 0.71 HTT (1.00) KMT2AHTTCHEK1TSHRGAA

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-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
EP-1631295-B1 USE OF CONDENSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN DISEASES AREXIS AB (SE) 2010-03-03 EP 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
WO-2000030646-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 2000-06-02 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 2584/4885HTT 3172/4885CHEK1 89/4885

“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.