SCHEMBL4892377

SCHEMBL4892377

CCc1nc(COCc2ccccc2)[nH]c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.37
KCNH2 Q12809 3/20 0.37
MAOB P27338 2/20 0.36
TSHR P16473 2/20 0.33
MAP2K2 P36507 2/20 0.33
MAP2K1 Q02750 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
PIM1 P11309 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP2 O95551 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL14153969 0.85 ALDH1A1 (0.35) GHSRKCNH2MAOBALDH1A1
SCHEMBL4886740 0.85 KCNH2 (0.38) GHSRKCNH2MAOBALDH1A1
SCHEMBL4900769 0.82 MAOB (0.35) GHSRMAOBTSHRMAP2K2MAP2K1
SCHEMBL4902044 0.81 CXCR2 (0.38) GHSRKCNH2MAOBTSHRMAP2K2
SCHEMBL4900824 0.78 KCNH2 (0.40) KCNH2MAP2K2MAP2K1HCAR2
SCHEMBL4883225 0.76 GHSR (0.34) GHSRKCNH2MAOBMAP2K2MAP2K1
SCHEMBL4899994 0.75 TSHR (0.37) GHSRMAOBTSHR
SCHEMBL4892334 0.72 ALDH1A1 (0.34) GHSRMAOBTSHRALDH1A1
SCHEMBL4903165 0.72 TSHR (0.37) GHSRMAOBTSHR
SCHEMBL4890931 0.71 TSHR (0.35) GHSRMAOBTSHRALDH1A1

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 GHSR 4729/4885KCNH2 3296/4885MAOB 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.