SCHEMBL14095975

SCHEMBL14095975

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.60
SIRT1 Q96EB6 2/20 0.60
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
BCAT2 O15382 1/20 0.54
ALDH1A1 P00352 2/20 0.52
EPHX1 P07099 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 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
SCHEMBL5445610 0.88 MAPT (0.71) SIRT2SIRT1NPC1RAB9AMAPT
SCHEMBL14095963 0.86 ALDH1A1 (0.62) SIRT2SIRT1NPC1RAB9AMAPT
SCHEMBL14095964 0.86 EPHX1 (0.63) SIRT2SIRT1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL3717975 0.85 BCAT2 (0.72) SIRT2SIRT1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL3717981 0.85 SIRT2 (0.60) SIRT2SIRT1NPC1RAB9AMAPT
SCHEMBL3044656 0.84 ALDH1A1 (0.70) SIRT2SIRT1NPC1RAB9AMAPT
SCHEMBL14096350 0.83 SIRT2 (0.56) SIRT2SIRT1NPC1RAB9AMAPT
SCHEMBL14095973 0.83 SIRT1 (0.59) SIRT2SIRT1NPC1RAB9AMAPT
SCHEMBL5453548 0.82 MAPT (0.67) SIRT2SIRT1RAB9AMAPTMEN1
SCHEMBL5452737 0.82 CA1 (0.75) RAB9AMEN1KMT2AALDH1A1

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 SIRT2 4612/4885SIRT1 4376/4885NPC1 886/4885

“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.