SCHEMBL4892334

SCHEMBL4892334

CCc1nc(CCOCc2ccccc2)n(C)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
NOS2 P35228 1/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
TSHR P16473 2/20 0.32
GHSR Q92847 1/20 0.32
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
AS3MT Q9HBK9 1/20 0.30
HTR2C P28335 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL4890931 0.90 TSHR (0.35) ALDH1A1NOS2MAOBMAOATSHR
SCHEMBL4896718 0.85 MAOB (0.34) ALDH1A1NOS2MAOBMAOA
SCHEMBL14154011 0.84 TSHR (0.33) ALDH1A1NOS2MAOBMAOATSHR
SCHEMBL4883328 0.84 TSHR (0.33) ALDH1A1NOS2MAOBMAOATSHR
SCHEMBL4902955 0.84 TLR7 (0.32) TSHRCYP19A1
SCHEMBL4899994 0.83 TSHR (0.37) MAOBMAOATSHRGHSRCYP19A1
SCHEMBL4903272 0.80 KCNH2 (0.31)
SCHEMBL4904731 0.79
SCHEMBL4903034 0.78 NOS2 (0.36) ALDH1A1NOS2MAOBMAOATSHR
SCHEMBL4902928 0.78 TSHR (0.36) NOS2MAOBMAOATSHR

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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
EP-1740550-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV Pfizer Limited (GB) 2007-01-10 EP disclosed
WO-2005100322-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV PFIZER LIMITED (GB) 2005-10-27 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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 ALDH1A1 84/4885NOS2 1490/4885MAOB 1130/4885

“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.