SCHEMBL4899208

SCHEMBL4899208

CCc1nc(CO)n(Cc2ccccn2)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.35
HRH1 P35367 2/20 0.34
AR P10275 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MCL1 Q07820 1/20 0.32
CNR2 P34972 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ADORA2B P29275 2/20 0.31
TP53 P04637 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HBB P68871 1/20 0.31
HTR6 P50406 1/20 0.31
TLR7 Q9NYK1 2/20 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
SCHEMBL4900901 0.86 PLA2G2A (0.33) GABRA5ARMAPTNPC1RAB9A
SCHEMBL4902955 0.83 TLR7 (0.32) GABRA5TSHRTLR7
SCHEMBL4897152 0.83 CYP11B1 (0.33) AR
SCHEMBL4902602 0.82 KCNH2 (0.32)
SCHEMBL4887120 0.75 KCNH2 (0.35) SMN1; SMN2TSHR
SCHEMBL4896799 0.73 KCNH2 (0.30)
SCHEMBL4905138 0.72 TSHR (0.39) ARMAPTLMNAALDH1A1HPGD
SCHEMBL4900200 0.71 KCNH2 (0.34)
SCHEMBL7081548 0.71 BRD4 (0.36) GABRA5HRH1TLR7
SCHEMBL6973511 0.70 S1PR3 (0.36) HRH1LMNAALDH1A1TLR7

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 4 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
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 GABRA5 4186/4885HRH1 620/4885AR 2802/4885

“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.