SCHEMBL4896718

SCHEMBL4896718

Cn1c(CCOCc2ccccc2)nc(C(F)(F)F)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NOS2 P35228 1/20 0.32
TACR1 P25103 1/20 0.32
ALDH1A1 P00352 1/20 0.31
P2RY12 Q9H244 1/20 0.30
PKM P14618 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
SCHEMBL4902928 0.89 TSHR (0.36) MAOBMAOAMEN1CYP1A2CYP2C9
SCHEMBL4892334 0.85 ALDH1A1 (0.34) MAOBMAOANOS2ALDH1A1
SCHEMBL4875980 0.83 TSHR (0.33)
SCHEMBL4901053 0.82 TSHR (0.37) MAOBMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4898932 0.75 VCP (0.36) MAOBMEN1KMT2AALDH1A1
SCHEMBL4903034 0.74 NOS2 (0.36) MAOBMAOAMEN1CYP2C9CYP2C19
SCHEMBL4894124 0.73 L3MBTL1 (0.33) MAOBMAOAMEN1KMT2AL3MBTL1
SCHEMBL4884251 0.72 ALDH1A1 (0.31) MAOBALDH1A1
SCHEMBL4900769 0.71 MAOB (0.35) MAOBMEN1KMT2AL3MBTL1TACR1
SCHEMBL14154011 0.71 TSHR (0.33) MAOBMAOANOS2ALDH1A1

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 MAOB 1130/4885MAOA 2292/4885MEN1 4634/4885

“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.