SCHEMBL14095987

SCHEMBL14095987

CCCCCOc1ccc(NC(=S)NC(=O)c2cccc(CCl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
LMNA P02545 2/20 0.60
MAPK1 P28482 2/20 0.58
HTT P42858 1/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
POLB P06746 2/20 0.57
ALOX12 P18054 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
ADRB2 P07550 1/20 0.52
NR1H4 Q96RI1 2/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
THRB P10828 1/20 0.49

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
SCHEMBL2869422 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4358817 0.83 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4365757 0.82 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2869455 0.80 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4363371 0.79 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL14096009 0.79 MAPT (0.79) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2870089 0.78 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2462487 0.78 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2862652 0.78 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4368159 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA

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 2930/4885SMN1; SMN2 4344/4885RAB9A 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.