SCHEMBL14095963

SCHEMBL14095963

O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 3/20 0.62
MAPK1 P28482 2/20 0.62
STAT1 P42224 1/20 0.62
SIRT2 Q8IXJ6 2/20 0.60
SIRT1 Q96EB6 2/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
BCAT2 O15382 1/20 0.54
EPHX1 P07099 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL14096534 0.92 RAB9A (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5445610 0.88 MAPT (0.71) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14095975 0.86 SIRT2 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14095964 0.86 EPHX1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL3717975 0.85 BCAT2 (0.72) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL3717981 0.85 SIRT2 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3044656 0.84 ALDH1A1 (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5448085 0.83 RAB9A (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14095973 0.83 SIRT1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14096350 0.83 SIRT2 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
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 2930/4885NPC1 886/4885RAB9A 3144/4885

“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.