SCHEMBL4903034

SCHEMBL4903034

CCn1c(CCOCc2ccccc2)nc(C2CC2)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.36
TSHR P16473 1/20 0.34
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA1 P14867 1/20 0.31
CXCR2 P25025 1/20 0.31
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
MEN1 O00255 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
SCHEMBL4902092 0.92 TSHR (0.35) TSHRCTSLCTSBCTSKMAOB
SCHEMBL4902928 0.84 TSHR (0.36) NOS2TSHRMAOBMAOAMEN1
SCHEMBL4901389 0.80 FASN (0.31)
SCHEMBL14154011 0.80 TSHR (0.33) NOS2TSHRMAOBMAOAALDH1A1
SCHEMBL4875980 0.78 TSHR (0.33) TSHR
SCHEMBL4892334 0.78 ALDH1A1 (0.34) NOS2TSHRMAOBMAOAALDH1A1
SCHEMBL14168878 0.78 HSP90B1 (0.32)
SCHEMBL4899994 0.77 TSHR (0.37) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL4902689 0.77 CXCR2 (0.36) NOS2CTSLCTSBCTSKMAOB
SCHEMBL4901487 0.76 MEN1 (0.36) NOS2MAOBMAOAADORA2AADORA1

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 1 patent. 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

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 NOS2 1490/4885TSHR 3874/4885CTSL 1774/4885

“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.