SCHEMBL4898932

SCHEMBL4898932

CC(C)c1nc(COCc2ccccc2)n(C)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.36
MCL1 Q07820 1/20 0.32
MAOB P27338 1/20 0.32
GHSR Q92847 2/20 0.32
CTSL P07711 2/20 0.31
SQOR Q9Y6N5 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
CTSS P25774 1/20 0.31
CSNK1A1 P48729 1/20 0.31
KDM5A P29375 2/20 0.31
TSHR P16473 1/20 0.31
AS3MT Q9HBK9 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
HTR2C P28335 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL4900234 0.88 TSHR (0.36) VCPMCL1MAOBGHSRCTSL
SCHEMBL5300690 0.85 TSHR (0.34) VCPMCL1MAOBGHSRTSHR
SCHEMBL6969238 0.84 VCP (0.38) VCPTSHRKDM4E
SCHEMBL6962017 0.80 TDP1 (0.39) VCPMAOBMEN1ALDH1A1KMT2A
SCHEMBL4896839 0.77 HSP90B1 (0.30)
SCHEMBL4892334 0.77 ALDH1A1 (0.34) MAOBGHSRTSHRAS3MTHTR2C
SCHEMBL4899994 0.76 TSHR (0.37) VCPMAOBGHSRSQORTSHR
SCHEMBL6964734 0.76 TDP1 (0.33) VCPMAOBALDH1A1
SCHEMBL4896718 0.75 MAOB (0.34) MAOBMEN1ALDH1A1KMT2A
SCHEMBL6975492 0.74 HRH4 (0.35) VCPMAOBHTR2CMEN1KMT2A

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 VCP 2462/4885MCL1 2595/4885MAOB 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.