SCHEMBL5368718

SCHEMBL5368718

CC(C)(C)c1ccc(CSc2ccc(N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SCN9A Q15858 3/20 0.47
SCN5A Q14524 2/20 0.47
GRIN2C Q14957 1/20 0.47
EPHX2 P34913 1/20 0.46
ESRRG P62508 1/20 0.44
DAO P14920 1/20 0.43
SLC6A4 P31645 1/20 0.42
EPHX1 P07099 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
APP P05067 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5122923 0.84 ALDH1A1 (0.80) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13406684 0.84 TSHR (0.56) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5377048 0.82 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL27684871 0.81 EGFR (0.54) ALDH1A1NPC1RAB9AKMT2ADAO
SCHEMBL5378712 0.81 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5716712 0.81 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL20132338 0.79 MEN1 (0.67) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5716709 0.79 MEN1 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8559865 0.79 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8458039 0.77 NR1H4 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US claimed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 US claimed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
EP-1725524-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Incorporated (US) 2006-11-29 EP disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 US disclosed
WO-2005092845-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-10-06 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 (2 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-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885NPC1 59/4885RAB9A 2271/4885
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD ALDH1A1 2752/4885NPC1 74/4885RAB9A 2063/4885

“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.