SCHEMBL14095951

SCHEMBL14095951

O=C(NC(=S)Nc1ccc(C2CCCCC2)cc1)C1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.72
▸ NPC1 O15118 4/20 0.72
▸ ALDH1A1 P00352 3/20 0.66
▸ POLB P06746 1/20 0.58
▸ KMT2A Q03164 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ GAA P10253 2/20 0.55

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
SCHEMBL4361375 0.79 HPGD (0.60) RAB9ANPC1ALDH1A1KMT2AGAA
SCHEMBL14095958 0.78 HPGD (0.51) RAB9ANPC1ALDH1A1POLBKMT2A
SCHEMBL3428205 0.77 HDAC3 (0.53) RAB9ANPC1ALDH1A1KMT2AGAA
SCHEMBL11356835 0.76 HDAC8 (0.64) RAB9ANPC1ALDH1A1KMT2AGAA
SCHEMBL23453329 0.76 SMN1; SMN2 (0.69) RAB9ANPC1ALDH1A1POLBKMT2A
SCHEMBL23453331 0.76 SMN1; SMN2 (0.65) RAB9ANPC1ALDH1A1POLBKMT2A
SCHEMBL11215485 0.75 HDAC8 (0.62) RAB9ANPC1ALDH1A1GAA
SCHEMBL4542424 0.75 KMT2A (0.48) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL4542420 0.75 KMT2A (0.48) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL22678459 0.75 HPGD (0.81) ALDH1A1POLBKMT2AGAA

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 RAB9A 3144/4885NPC1 886/4885ALDH1A1 2930/4885

“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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