SCHEMBL914589

SCHEMBL914589

O=c1ocnc2oc3c(c12)CCC3

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOA P21397 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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 0.97 ELANE (0.37) ELANEALDH1A1SMN1; SMN2MAOATSHR
SCHEMBL913544 0.95 ELANE (0.36) ELANEALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL28701461 0.68 KMT2A (0.49) ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL914053 0.67 NPSR1 (0.55) ELANEALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL914303 0.67 EGFR (0.40) ELANEALDH1A1SMN1; SMN2
SCHEMBL15406756 0.67 MEN1 (0.40) ALDH1A1
SCHEMBL1918668 0.64 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HTT
SCHEMBL913919 0.63 EGFR (0.43) ELANEALDH1A1SMN1; SMN2
SCHEMBL914683 0.63 KMT2A (0.55) ELANEALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL914341 0.62 GAA (0.56) ELANEALDH1A1SMN1; SMN2TSHRHTT

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 353/4885ALDH1A1 584/4885SMN1; SMN2 3806/4885

“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.