SCHEMBL10143976

SCHEMBL10143976

CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.78
RAB9A P51151 2/20 0.78
ALDH1A1 P00352 1/20 0.78
GLA P06280 1/20 0.78
ATM Q13315 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
KCNK9 Q9NPC2 2/20 0.69
NR1H4 Q96RI1 10/20 0.69
KCNK3 O14649 2/20 0.63
PPARG P37231 5/20 0.62
PPARA Q07869 2/20 0.60
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PPARD Q03181 1/20 0.56
PTGES O14684 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL26074396 0.88 RAB9A (1.00) NPC1RAB9AALDH1A1GLAATM
SCHEMBL3768739 0.81 RAB9A (0.53) NPC1RAB9AALDH1A1GLAATM
SCHEMBL11918188 0.81 NPC1 (0.79) NPC1RAB9AATMSMN1; SMN2PTGES
SCHEMBL7295509 0.81 KCNK9 (0.80) NPC1RAB9AALDH1A1KCNK9NR1H4
SCHEMBL22060020 0.81 NR1H4 (0.84) KCNK9NR1H4PPARGPPARAPPARD
SCHEMBL7296261 0.80 RAB9A (0.78) NPC1RAB9AALDH1A1GLAATM
SCHEMBL14195814 0.80 KCNK9 (0.83) NPC1RAB9AALDH1A1KCNK9NR1H4
SCHEMBL7294705 0.79 MAPT (0.82) NPC1RAB9AALDH1A1GLAATM
SCHEMBL13762080 0.79 KCNK9 (0.76) NPC1RAB9AALDH1A1KCNK9NR1H4
SCHEMBL5223315 0.78 RAB9A (0.73) NPC1RAB9AALDH1A1GLAATM

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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 NPC1 764/4885RAB9A 3256/4885ALDH1A1 2125/4885

“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.