SCHEMBL4138900

SCHEMBL4138900

CCCCn1c(=O)cc(N)n(C)c1=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA2A P08913 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
PDE4A P27815 2/20 0.36
ADORA2A P29274 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CYP3A4 P08684 1/20 0.36
CCR6 P51684 2/20 0.35
LMNA P02545 1/20 0.35
RGS4 P49798 2/20 0.35
RGS8 P57771 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3243411 0.88 ALDH1A1 (0.41) HPGDALDH1A1L3MBTL1TDP1ADRA2A
SCHEMBL1945518 0.83 HPGD (0.55) HPGDALDH1A1L3MBTL1TDP1ADRA2A
SCHEMBL4148123 0.82 ADRA2A (0.42) HPGDALDH1A1ADRA2ATSHRMAPT
SCHEMBL2336285 0.77 ALDH1A1 (0.45) HPGDALDH1A1L3MBTL1TDP1ADRA2A
SCHEMBL5412462 0.77 ALDH1A1 (0.41) HPGDALDH1A1MAPTPDE4AADORA2A
SCHEMBL1948066 0.75 ADORA2B (0.46) HPGDALDH1A1L3MBTL1TDP1ADRA2A
SCHEMBL4154718 0.74 ALDH1A1 (0.43) HPGDALDH1A1MAPTCYP3A4
SCHEMBL29738657 0.72 ADRA2A (0.45) HPGDALDH1A1ADRA2ACYP3A4
SCHEMBL1546589 0.72 HPGD (0.58) HPGDALDH1A1L3MBTL1PDE4AADORA2A
SCHEMBL7181790 0.71 ADORA2B (0.47) HPGDALDH1A1ADRA2ATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US disclosed
US-20090048374-A1 STABILIZER COMPOSITIONS FOR HALOGENATED POLYMERS WITH IMPROVED INITIAL COLOR AND IMPROVED COLOR MAINTENANCE BAERLOCHER GMBH (DE) 2009-02-19 US disclosed
EP-1996649-A1 STABILIZER COMPOSITIONS FOR HALOGENATED POLYMERS WITH IMPROVED INITIAL COLOR AND IMPROVED COLOR MAINTENANCE Baerlocher GmbH (DE) 2008-12-03 EP disclosed
WO-2007104379-A1 STABILIZER COMPOSITIONS FOR HALOGENATED POLYMERS WITH IMPROVED INITIAL COLOR AND IMPROVED COLOR MAINTENANCE BAERLOCHER GMBH (DE) 2007-09-20 WO disclosed
EP-0041479-B1 CHLORINE-CONTAINING THERMOPLASTIC POLYMERS STABILIZED WITH AMINO-THIOURACILS CIBA-GEIGY AG (CH) 1984-04-04 EP disclosed
US-4352903-A HEAT RESISTANT MOLDING MATERIALS CIBA-GEIGY CORPORATION (US) 1982-10-05 US disclosed
EP-0041479-A1 Chlorine-containing thermoplastic polymers stabilized with amino-thiouracils CIBA-GEIGY AG (CH) 1981-12-09 EP 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-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 HPGD 3002/4885ALDH1A1 478/4885L3MBTL1 4409/4885

“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.