SCHEMBL4900901

SCHEMBL4900901

CCc1nc(COC(N)=O)n(Cc2ccccn2)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.33
GABRA5 P31644 1/20 0.33
CNR2 P34972 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PARP10 Q53GL7 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM1A O60341 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.32
ADRA1D P25100 1/20 0.32
CHRM4 P08173 1/20 0.32
AR P10275 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
SCHEMBL4899208 0.86 GABRA5 (0.35) GABRA5CNR2TLR7ALDH1A1ALOX15
SCHEMBL4902450 0.85 HTR2C (0.32) HSD17B10
SCHEMBL4902955 0.81 TLR7 (0.32) GABRA5TLR7TSHR
SCHEMBL14154039 0.79
SCHEMBL4875978 0.79 KCNH2 (0.33) KDM4EALDH1A1ADRA1DPOLBHPGD
SCHEMBL7082317 0.75 PLA2G2A (0.36) PLA2G2ATLR7KDM4EALDH1A1HSD17B10
SCHEMBL6966022 0.74 ADRA1D (0.36) PLA2G2ATLR7KDM4EALDH1A1HSD17B10
SCHEMBL7084640 0.74 S1PR3 (0.39) PLA2G2ATLR7KDM4EALDH1A1
SCHEMBL6967024 0.74 ALDH1A1 (0.35) PLA2G2ATLR7KDM4EALDH1A1HSD17B10
SCHEMBL4904731 0.72

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 2 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
US-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US 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 PLA2G2A 4884/4885GABRA5 4186/4885CNR2 4712/4885

“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.