SCHEMBL14096262

SCHEMBL14096262

CCCCCOc1ccc(NC(=S)NC(=O)c2c(C)ccnc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ FAAH O00519 10/20 0.47
▸ PTGES O14684 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL14096265 0.86 TP53 (0.52) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14096260 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1FAAHPTGESMAPT
SCHEMBL14137239 0.80 MAPT (0.49) ALDH1A1MAPK1PTGESMAPTNPC1
SCHEMBL4360192 0.79 PTGES (0.47) ALDH1A1MAPK1FAAHPTGESMAPT
SCHEMBL4361488 0.78 MAPT (0.47) ALDH1A1FAAHPTGESMAPTKDM4E
SCHEMBL27803833 0.78 LMNA (0.53) FAAHMAPTKDM4EHPGDHTT
SCHEMBL4361364 0.78 ALDH1A1 (0.60) ALDH1A1FAAHPTGESMAPTKDM4E
SCHEMBL14096058 0.77 SMN1; SMN2 (0.57) ALDH1A1PTGESMAPTNPC1RAB9A
SCHEMBL2858909 0.77 ALDH1A1 (0.56) ALDH1A1MAPK1FAAHPTGESMAPT
SCHEMBL4368032 0.77 MAPT (0.53) ALDH1A1MAPK1FAAHPTGESMAPT

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 2930/4885MAPK1 4584/4885FAAH 3240/4885

“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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