SCHEMBL4494612

SCHEMBL4494612

O=c1c2c3c(sc2ncn1CCCl)COCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LIMK1 P53667 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 5/20 0.45
ADRA1D P25100 5/20 0.45
HTR1B P28222 5/20 0.45
ADRA1A P35348 5/20 0.45
ADRA1B P35368 5/20 0.45
SIGMAR1 Q99720 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
P2RX3 P56373 3/20 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
SCHEMBL4691355 0.88 NPC1 (0.64) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7520713 0.83 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL4505741 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL3457276 0.79 HTR1A (0.64) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL540855 0.77 ALDH1A1 (0.74) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL16983040 0.76 ALDH1A1 (0.72) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL3457893 0.74 SIGMAR1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL13934430 0.71 HTR1A (0.52) SMN1; SMN2MAPTHTR1AADRA1DHTR1B
SCHEMBL7522252 0.70 ALDH1A1 (0.71) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL16983016 0.70 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.