SCHEMBL4900769

SCHEMBL4900769

N#Cc1cc(C#N)cc(Sc2[nH]c(COCc3ccccc3)nc2C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
GHSR Q92847 2/20 0.34
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MEN1 O00255 1/20 0.32
TNF P01375 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
DAO P14920 1/20 0.32
CTSB P07858 3/20 0.32
CTSS P25774 1/20 0.32
TACR1 P25103 1/20 0.32
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.31
TDP2 O95551 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
SCHEMBL4883225 0.93 GHSR (0.34) MAOBGHSRMAP2K2MAP2K1MEN1
SCHEMBL4884251 0.85 ALDH1A1 (0.31) MAOBGHSR
SCHEMBL4892377 0.82 GHSR (0.37) MAOBGHSRMAP2K2MAP2K1GRIN1
SCHEMBL4902044 0.80 CXCR2 (0.38) MAOBGHSRMAP2K2MAP2K1GRIN1
SCHEMBL14154009 0.77 MRGPRX4 (0.33) MAOBGHSRMEN1TNFPOLB
SCHEMBL4894124 0.75 L3MBTL1 (0.33) MAOBMEN1TNFPOLBKMT2A
SCHEMBL4901053 0.74 TSHR (0.37) MAOBGHSRMEN1KMT2ACTSS
SCHEMBL4902689 0.72 CXCR2 (0.36) MAOBGHSRMAP2K2MAP2K1CTSB
SCHEMBL4896718 0.71 MAOB (0.34) MAOBMEN1KMT2ATACR1L3MBTL1
SCHEMBL20470736 0.71 TSHR (0.43) KMT2ADAOTACR1TSHRL3MBTL1

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 1130/4885GHSR 4729/4885MAP2K2 3967/4885

“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.