SCHEMBL4902928

SCHEMBL4902928

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ACSS2 Q9NR19 1/20 0.33
MAOB P27338 3/20 0.32
MAOA P21397 2/20 0.32
P2RY12 Q9H244 2/20 0.31
NOS2 P35228 1/20 0.31
TACR1 P25103 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL4875980 0.94 TSHR (0.33) TSHRACSS2
SCHEMBL4901053 0.92 TSHR (0.37) TSHRACSS2MAOBP2RY12TACR1
SCHEMBL4896718 0.89 MAOB (0.34) MAOBMAOAP2RY12NOS2TACR1
SCHEMBL4890931 0.86 TSHR (0.35) TSHRACSS2MAOBMAOANOS2
SCHEMBL4903034 0.84 NOS2 (0.36) TSHRMAOBMAOANOS2MEN1
SCHEMBL14154011 0.80 TSHR (0.33) TSHRMAOBMAOANOS2
SCHEMBL4883328 0.80 TSHR (0.33) TSHRMAOBMAOANOS2MEN1
SCHEMBL4892334 0.78 ALDH1A1 (0.34) TSHRMAOBMAOANOS2
SCHEMBL4899994 0.77 TSHR (0.37) TSHRACSS2MAOBMAOAMEN1
SCHEMBL4900234 0.76 TSHR (0.36) TSHRACSS2MAOBMAOAMEN1

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 3874/4885ACSS2 1637/4885MAOB 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.