SCHEMBL4894124

SCHEMBL4894124

N#Cc1cc(C#N)cc(Sc2nc(CCOCc3ccccc3)[nH]c2C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
TACR1 P25103 1/20 0.32
MGLL Q99685 1/20 0.32
FASN P49327 1/20 0.32
MEN1 O00255 1/20 0.31
TNF P01375 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
CTSS P25774 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
MRGPRX4 Q96LA9 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
SCHEMBL14154012 0.94 MRGPRX4 (0.32) L3MBTL1ALDH1A1TACR1MGLLMRGPRX4
SCHEMBL14154009 0.85 MRGPRX4 (0.33) L3MBTL1MAOBTACR1MEN1TNF
SCHEMBL4884251 0.79 ALDH1A1 (0.31) ALDH1A1MAOB
SCHEMBL4902689 0.76 CXCR2 (0.36) ALDH1A1MAOBMAOACYP19A1CYP11B1
SCHEMBL4900769 0.75 MAOB (0.35) L3MBTL1MAOBTACR1MEN1TNF
SCHEMBL4896718 0.73 MAOB (0.34) L3MBTL1ALDH1A1MAOBMAOATACR1
SCHEMBL4886521 0.73 ALDH1A1 (0.39) L3MBTL1ALDH1A1MAOBMAOAMGLL
SCHEMBL14153969 0.72 ALDH1A1 (0.35) ALDH1A1MAOBMAOA
SCHEMBL4902928 0.72 TSHR (0.36) MAOBMAOATACR1MEN1KMT2A
SCHEMBL4886740 0.72 KCNH2 (0.38) ALDH1A1MAOBMAOA

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 L3MBTL1 794/4885ALDH1A1 84/4885MAOB 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.