SCHEMBL14096547

SCHEMBL14096547

O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cc2ccccc2o1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.79
▸ HPGD P15428 1/20 0.79
▸ SMN1; SMN2 Q16637 1/20 0.79
▸ TP53 P04637 5/20 0.70
▸ RAB9A P51151 2/20 0.63
▸ NPC1 O15118 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HTT P42858 1/20 0.59
▸ MAPT P10636 4/20 0.58
▸ PCSK9 Q8NBP7 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ THRB P10828 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ DUSP1 P28562 1/20 0.53

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
SCHEMBL4361940 0.89 SMN1; SMN2 (1.00) ALDH1A1HPGDSMN1; SMN2TP53RAB9A
SCHEMBL5993312 0.75 MAPT (0.67) ALDH1A1SMN1; SMN2TP53RAB9ANPC1
SCHEMBL14096436 0.75 NPC1 (0.62) ALDH1A1HPGDSMN1; SMN2TP53RAB9A
SCHEMBL14096650 0.73 NPC1 (0.67) ALDH1A1HPGDSMN1; SMN2TP53RAB9A
SCHEMBL14096127 0.73 MAPT (0.61) ALDH1A1HPGDSMN1; SMN2TP53RAB9A
SCHEMBL14096079 0.72 MAPT (0.78) ALDH1A1SMN1; SMN2TP53RAB9ANPC1
SCHEMBL19748087 0.72 PCSK9 (1.00) ALDH1A1HPGDSMN1; SMN2TP53RAB9A
SCHEMBL31631288 0.71 RAB9A (0.70) ALDH1A1HPGDSMN1; SMN2TP53RAB9A
SCHEMBL10144144 0.70 MAPT (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL25674719 0.70 DUSP1 (0.65) ALDH1A1HPGDSMN1; SMN2TP53RAB9A

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 2930/4885HPGD 919/4885SMN1; SMN2 4344/4885

“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.

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