SCHEMBL915757

SCHEMBL915757

S=c1[nH]cnc2sc3c(c12)CCCC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.68
TSHR P16473 3/20 0.68
CHEK1 O14757 1/20 0.68
KMT2A Q03164 1/20 0.68
GAA P10253 3/20 0.66
NPSR1 Q6W5P4 1/20 0.63
ALDH1A1 P00352 8/20 0.50
LIMK1 P53667 3/20 0.50
HPGD P15428 2/20 0.50
APOBEC3G Q9HC16 1/20 0.50
RXFP1 Q9HBX9 1/20 0.46
DRD2 P14416 1/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6031412 0.98 GAA (0.68) HTTTSHRCHEK1KMT2AGAA
SCHEMBL914395 0.97 NPSR1 (0.68) HTTTSHRCHEK1KMT2AGAA
SCHEMBL736600 0.81 HTT (1.00) HTTTSHRCHEK1KMT2AGAA
SCHEMBL914710 0.79 GAA (1.00) HTTTSHRCHEK1KMT2AGAA
SCHEMBL916128 0.77 NPSR1 (1.00) HTTTSHRCHEK1KMT2AGAA
SCHEMBL913457 0.71 LIMK1 (0.50) HTTTSHRCHEK1KMT2AGAA
SCHEMBL16724451 0.70 LIMK1 (0.53) HTTTSHRCHEK1KMT2AGAA
SCHEMBL914020 0.70 LIMK1 (0.51) HTTTSHRCHEK1KMT2AGAA
SCHEMBL914350 0.68 LIMK1 (0.50) HTTTSHRCHEK1KMT2AGAA
SCHEMBL735589 0.67 LIMK1 (0.66) HTTTSHRGAAALDH1A1LIMK1

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 HTT 3172/4885TSHR 4590/4885CHEK1 89/4885

“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.