SCHEMBL4902955

SCHEMBL4902955

CCc1nc(CCOCc2ccccc2)n(Cc2ccccn2)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.32
CYP19A1 P11511 2/20 0.32
GABRA5 P31644 1/20 0.31
TRPC5 Q9UL62 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
AVPR1A P37288 1/20 0.30
TSHR P16473 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 0.88 TSHR (0.35) CYP19A1TSHR
SCHEMBL4892334 0.84 ALDH1A1 (0.34) CYP19A1TSHR
SCHEMBL4899208 0.83 GABRA5 (0.35) TLR7GABRA5TSHR
SCHEMBL14154011 0.82 TSHR (0.33) TSHR
SCHEMBL4883328 0.82 TSHR (0.33) TSHR
SCHEMBL4900901 0.81 PLA2G2A (0.33) TLR7GABRA5TSHR
SCHEMBL4899994 0.79 TSHR (0.37) CYP19A1TSHR
SCHEMBL4903034 0.75 NOS2 (0.36) CYP19A1GABRA5AVPR1ATSHR
SCHEMBL4902928 0.75 TSHR (0.36) TSHR
SCHEMBL8349607 0.75 TDP1 (0.32) TLR7TRPC5HDAC1HDAC8

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 TLR7 3345/4885CYP19A1 1677/4885GABRA5 4186/4885

“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.