SCHEMBL14096502

SCHEMBL14096502

O=C(NC(=S)Nc1ccccc1)c1sc2ccccc2c1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.72
MAPT P10636 13/20 0.72
KDM4E B2RXH2 3/20 0.72
RXFP1 Q9HBX9 2/20 0.72
SMN1; SMN2 Q16637 8/20 0.71
PRNP P04156 2/20 0.71
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
GAA P10253 3/20 0.66
PKM P14618 2/20 0.66
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
HTT P42858 2/20 0.65
POLB P06746 1/20 0.65
RECQL P46063 1/20 0.65
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.61
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59

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
SCHEMBL12767900 0.92 MAPT (0.69) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL13956784 0.87 PRSS12 (0.64) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL5464660 0.86 MAPT (0.67) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL5935569 0.86 MAPT (0.79) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL14136957 0.84 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL12767889 0.84 MAPT (1.00) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL13956777 0.82 MEN1 (0.58) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL13956806 0.82 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL13956800 0.81 MAPT (0.58) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL13956812 0.81 MAPT (0.53) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885MAPT 4038/4885KDM4E 3665/4885

“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.