SCHEMBL14137239

SCHEMBL14137239

CCCCCOc1ccc(NC(=S)NC(=O)c2cc3c(C)nccc3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
RXFP1 Q9HBX9 1/20 0.45
PTGES O14684 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 4/20 0.42
STAT3 P40763 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL2919596 0.92 MAPT (0.48) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL2918841 0.91 MAPT (0.48) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL13175613 0.91 MAPT (0.48) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL2915403 0.89 PTGES (0.47) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL13175990 0.86 ALDH1A1 (0.52) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL2919440 0.85 ALDH1A1 (0.51) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL2919415 0.85 ALDH1A1 (0.51) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL13175915 0.84 ALDH1A1 (0.52) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL2914653 0.84 ALDH1A1 (0.53) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL14018593 0.83 ALDH1A1 (0.47) MAPTNPC1RAB9AALDH1A1MAPK1

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 1 patent. 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

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 MAPT 4038/4885NPC1 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.