SCHEMBL913600

SCHEMBL913600

O=c1oc(-c2ccccc2)nc2sc3c(c12)CCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 1.00
ALDH1A1 P00352 8/20 1.00
KMT2A Q03164 6/20 1.00
CASP3 P42574 3/20 1.00
MEN1 O00255 3/20 1.00
POLB P06746 3/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
PLA2G1B P04054 1/20 1.00
BLM P54132 1/20 1.00
CASP6 P55212 1/20 1.00
CASP8 Q14790 1/20 1.00
CTDSP1 Q9GZU7 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
ATG4B Q9Y4P1 1/20 1.00
MAPT P10636 9/20 0.95
HPGD P15428 7/20 0.95
RAB9A P51151 5/20 0.95
NFKB1 P19838 1/20 0.95
NFKB2 Q00653 1/20 0.95
RELA Q04206 1/20 0.95

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
SCHEMBL912737 0.97 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1
SCHEMBL914037 0.87 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1
SCHEMBL914016 0.85 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1
SCHEMBL914213 0.85 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1
SCHEMBL3916315 0.84 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1
SCHEMBL914596 0.83 MAPT (0.77) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1
SCHEMBL913965 0.82 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1
SCHEMBL914357 0.81 MAPT (0.74) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1
SCHEMBL3368748 0.81 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1
SCHEMBL914110 0.81 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1KMT2ACASP3MEN1

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 10 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 claimed
EP-1631295-B1 USE OF CONDENSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN DISEASES AREXIS AB (SE) 2010-03-03 EP claimed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US claimed
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 claimed
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 claimed
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

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 SMN1; SMN2 3806/4885ALDH1A1 584/4885KMT2A 2584/4885

“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.