SCHEMBL4511186

SCHEMBL4511186

O=c1c2c3c(sc2ncn1CCO)CSCC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 2/20 0.46
ESR2 Q92731 1/20 0.46
SIGMAR1 Q99720 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX3 P56373 4/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNH2 Q12809 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41

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
SCHEMBL4505741 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7522252 0.84 ALDH1A1 (0.71) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL4691355 0.80 NPC1 (0.64) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL3457233 0.80 NPC1 (0.67) SMN1; SMN2NPC1RAB9AP2RX3HTR1A
SCHEMBL540855 0.75 ALDH1A1 (0.74) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6999544 0.74 NPC1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL16983040 0.74 ALDH1A1 (0.72) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7534400 0.73 HTR1A (0.77) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7520713 0.71 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL16983016 0.71 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491729-B2 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBOTT GMBH & CO. KG (DE) 2009-02-17 US disclosed
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 disclosed
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-06-29 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-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof HTR3C, DRD3, HTR4 SMN1; SMN2 4220/4885NPC1 2892/4885RAB9A 2126/4885

“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.