SCHEMBL4888701

SCHEMBL4888701

Cc1cccc(Cc2nc(CCl)c(C)o2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
ACSL1 P33121 1/20 0.39
LTA4H P09960 1/20 0.38
KCNN3 Q9UGI6 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.37
MAPK10 P53779 1/20 0.37
IDO1 P14902 2/20 0.37
MPO P05164 1/20 0.36

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
SCHEMBL2079117 0.86 MEN1 (0.44) SMN1; SMN2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL4884202 0.85 NPC1 (0.42) SMN1; SMN2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL14019471 0.81 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL1436140 0.74 MAPT (0.49) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL14019478 0.72 LTA4H (0.40) KMT2AMEN1LTA4HKCNN3TAAR1
SCHEMBL14019457 0.72 NPC1 (0.41) SMN1; SMN2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL13183755 0.71 NPC1 (0.45) SMN1; SMN2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL13255919 0.71 MEN1 (0.40) SMN1; SMN2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL4888710 0.71 TP53 (0.46) SMN1; SMN2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL30084583 0.70

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 WO 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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST SMN1; SMN2 4675/4885RAB9A 3782/4885NPC1 371/4885

“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.