SCHEMBL4021653

SCHEMBL4021653

ON=Cc1ccc(CCCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
ACHE P22303 3/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38

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
SCHEMBL4021648 1.00 RAB9A (0.45) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL506661 0.83 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL506660 0.83 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL8887514 0.81 CA2 (0.48) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL8888786 0.79 TAAR1 (0.50) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL5871707 0.79 RAB9A (0.45) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL11971337 0.79 KMT2A (0.55) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL5871705 0.79 RAB9A (0.45) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL11971339 0.79 KMT2A (0.55) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL13613577 0.78 KMT2A (0.50) RAB9ANPC1SMN1; SMN2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 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 (3 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 RAB9A 2139/4885NPC1 911/4885SMN1; SMN2 4589/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 RAB9A 2139/4885NPC1 911/4885SMN1; SMN2 4589/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 RAB9A 2139/4885NPC1 911/4885SMN1; SMN2 4589/4885

“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.