SCHEMBL4868428

SCHEMBL4868428

COc1ccc(CNC(=S)N2CCCCc3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.64
MAPT P10636 6/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 2/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 3/20 0.52
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 3/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL4869697 0.88 TP53 (0.58) THRBMAPTALDH1A1GAAHTT
SCHEMBL4871802 0.86 THRB (0.76) THRBMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4867619 0.84 MEN1 (0.64) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL4869536 0.84 KMT2A (0.59) MAPTALDH1A1GAAHTTTDP1
SCHEMBL4866044 0.76 GAA (0.48) THRBMAPTALDH1A1GAAKDM4E
SCHEMBL173546 0.76 GAA (0.60) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL4869645 0.76 LMNA (0.78) THRBMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4871870 0.76 MAPT (0.57) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL4871283 0.75 MAPT (0.62) THRBMAPTALDH1A1GAAKDM4E
SCHEMBL4870063 0.75 GAA (0.49) THRBMAPTALDH1A1GAAKDM4E

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 THRB 1930/4885MAPT 3398/4885ALDH1A1 3990/4885

“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.