SCHEMBL4694133

SCHEMBL4694133

O=c1[nH]cnc2sc3c(c12)CCSC3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.67
NPSR1 Q6W5P4 1/20 0.67
CHEK1 O14757 1/20 0.67
TSHR P16473 1/20 0.67
KMT2A Q03164 1/20 0.67
GAA P10253 3/20 0.65
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 4/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
PDPK1 O15530 1/20 0.45
BCAT2 O15382 1/20 0.40
LMNA P02545 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL916128 0.80 NPSR1 (1.00) HTTNPSR1CHEK1TSHRKMT2A
SCHEMBL736600 0.80 HTT (1.00) HTTNPSR1CHEK1TSHRKMT2A
SCHEMBL914710 0.79 GAA (1.00) HTTNPSR1CHEK1TSHRKMT2A
SCHEMBL3637702 0.77 HTT (0.67) HTTNPSR1CHEK1TSHRKMT2A
SCHEMBL4691404 0.75 HTT (0.65) HTTNPSR1CHEK1TSHRKMT2A
SCHEMBL14459794 0.74 HTT (0.63) HTTNPSR1CHEK1TSHRKMT2A
SCHEMBL13074167 0.73 KDM4E (0.63) HTTNPSR1CHEK1TSHRKMT2A
SCHEMBL939440 0.71 KDM4E (0.64) HTTNPSR1CHEK1TSHRKMT2A
SCHEMBL12908870 0.71 HTT (0.58) HTTNPSR1CHEK1TSHRKMT2A
SCHEMBL939224 0.70 KDM4E (0.72) HTTNPSR1CHEK1TSHRKMT2A

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
EP-1572698-B1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO¬2,3-D PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-07-02 EP claimed
US-20150166567-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. 2015-06-18 US disclosed
EP-2806876-A2 PROTEASOME ACTIVITY ENHANCING COMPOUNDS Proteostasis Therapeutics, Inc. (US) 2014-12-03 EP disclosed
WO-2013112699-A2 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. (US) 2013-08-01 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-20150166567-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSME1 HTT 160/4885NPSR1 4173/4885CHEK1 2158/4885

“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.