SCHEMBL915823

SCHEMBL915823

O=c1scnc2sc3c(c12)CCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 4/20 0.53
TSHR P16473 3/20 0.53
KMT2A Q03164 2/20 0.53
CHEK1 O14757 1/20 0.53
LIMK1 P53667 3/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 3/20 0.44
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL913458 0.97 HTT (0.56) NPSR1HTTTSHRKMT2ACHEK1
SCHEMBL913993 0.95 GAA (0.57) NPSR1HTTTSHRKMT2ACHEK1
SCHEMBL916128 0.72 NPSR1 (1.00) NPSR1HTTTSHRKMT2ACHEK1
SCHEMBL914053 0.72 NPSR1 (0.55) NPSR1HTTTSHRKMT2ACHEK1
SCHEMBL17950462 0.70 ALDH1A1 (0.59) NPSR1HTTTSHRKMT2AGAA
SCHEMBL736600 0.69 HTT (1.00) NPSR1HTTTSHRKMT2ACHEK1
SCHEMBL914683 0.69 KMT2A (0.55) NPSR1HTTTSHRKMT2ACHEK1
SCHEMBL13644123 0.68 LIMK1 (0.66) NPSR1HTTTSHRKMT2ALIMK1
SCHEMBL13644114 0.68 LIMK1 (1.00) NPSR1HTTTSHRKMT2ALIMK1
SCHEMBL10343525 0.68 LIMK1 (0.66) NPSR1HTTTSHRKMT2ALIMK1

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 NPSR1 1988/4885HTT 3172/4885TSHR 4590/4885

“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.