SCHEMBL913544

SCHEMBL913544

O=c1ocnc2oc3c(c12)CCCCC3

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL914090 0.98 ELANE (0.37) ELANESMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL914589 0.95 ELANE (0.37) ELANESMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL28701461 0.70 KMT2A (0.49) SMN1; SMN2ALDH1A1TSHRHTTKDM4E
SCHEMBL923464 0.68 EGFR (0.42) ELANESMN1; SMN2ALDH1A1KDM4E
SCHEMBL914341 0.68 GAA (0.56) ELANESMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL914683 0.66 KMT2A (0.55) ELANESMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL913919 0.66 EGFR (0.43) ELANESMN1; SMN2ALDH1A1KDM4E
SCHEMBL914053 0.62 NPSR1 (0.55) ELANESMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL914303 0.62 EGFR (0.40) ELANESMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL15406756 0.62 MEN1 (0.40) ALDH1A1KMT2A

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-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

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 ELANE 353/4885SMN1; SMN2 3806/4885ALDH1A1 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.