SCHEMBL4899994

SCHEMBL4899994

CCc1nc(COCc2ccccc2)n(CC)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
GHSR Q92847 2/20 0.36
MAOB P27338 3/20 0.34
ACSS2 Q9NR19 1/20 0.34
HTR2C P28335 1/20 0.33
VCP P55072 1/20 0.32
MAOA P21397 2/20 0.32
CYP19A1 P11511 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
EGLN2 Q96KS0 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER4 P35408 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
SCHEMBL4890931 0.91 TSHR (0.35) TSHRGHSRMAOBACSS2HTR2C
SCHEMBL4900234 0.86 TSHR (0.36) TSHRGHSRMAOBACSS2HTR2C
SCHEMBL4901053 0.85 TSHR (0.37) TSHRGHSRMAOBACSS2HTR2C
SCHEMBL4902092 0.85 TSHR (0.35) TSHRGHSRMAOBACSS2HTR2C
SCHEMBL14154011 0.85 TSHR (0.33) TSHRGHSRMAOBMAOA
SCHEMBL4883328 0.85 TSHR (0.33) TSHRGHSRMAOBMAOANPSR1
SCHEMBL4903165 0.84 TSHR (0.37) TSHRGHSRMAOBACSS2HTR2C
SCHEMBL5300690 0.84 TSHR (0.34) TSHRGHSRMAOBACSS2HTR2C
SCHEMBL4892334 0.83 ALDH1A1 (0.34) TSHRGHSRMAOBHTR2CMAOA
SCHEMBL4902955 0.79 TLR7 (0.32) TSHRCYP19A1

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 TSHR 3874/4885GHSR 4729/4885MAOB 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.