SCHEMBL913458

SCHEMBL913458

O=c1scnc2sc3c(c12)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 2/20 0.56
CHEK1 O14757 1/20 0.56
GAA P10253 1/20 0.55
HSD17B10 Q99714 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX15 P16050 1/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
LIMK1 P53667 3/20 0.51
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 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
SCHEMBL913993 0.98 GAA (0.57) HTTKMT2ATSHRCHEK1GAA
SCHEMBL915823 0.97 NPSR1 (0.56) HTTKMT2ATSHRCHEK1GAA
SCHEMBL736600 0.72 HTT (1.00) HTTKMT2ATSHRCHEK1GAA
SCHEMBL914683 0.72 KMT2A (0.55) HTTKMT2ATSHRCHEK1GAA
SCHEMBL914341 0.71 GAA (0.56) HTTKMT2ATSHRCHEK1GAA
SCHEMBL914710 0.71 GAA (1.00) HTTKMT2ATSHRCHEK1GAA
SCHEMBL2950082 0.70 ALDH1A1 (0.62) KMT2ASMN1; SMN2TP53MEN1ALDH1A1
SCHEMBL540855 0.69 ALDH1A1 (0.74) HTTKMT2ASMN1; SMN2RAB9ATP53
SCHEMBL916128 0.69 NPSR1 (1.00) HTTKMT2ATSHRCHEK1GAA
SCHEMBL914053 0.69 NPSR1 (0.55) HTTKMT2ATSHRCHEK1GAA

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 2 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

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 HTT 3172/4885KMT2A 2584/4885TSHR 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.