SCHEMBL14095968

SCHEMBL14095968

CC(C)(C)c1cccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
HDAC3 O15379 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX12 P18054 3/20 0.52
MEN1 O00255 2/20 0.52
CCR6 P51684 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.51
SIRT1 Q96EB6 2/20 0.51

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
SCHEMBL5837764 0.88 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL14095973 0.86 SIRT1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5453557 0.84 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5445610 0.82 MAPT (0.71) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2348633 0.81 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14095977 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14860028 0.79 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2346847 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4357801 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL16071625 0.78 HDAC8 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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 4344/4885NPC1 886/4885

“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.