SCHEMBL4046197

SCHEMBL4046197

[c]1nc(-c2ccc3ccccc3n2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 7/20 0.45
HSD17B10 Q99714 4/20 0.45
PKM P14618 4/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 3/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 1/20 0.45
AR P10275 8/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NISCH Q9Y2I1 1/20 0.42

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
SCHEMBL170196 0.78 RAB9A (0.64) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL29374931 0.78 RAB9A (0.64) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL30883995 0.76 RAB9A (0.61) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL31365172 0.76 RAB9A (0.61) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL30527876 0.76 RAB9A (0.61) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL34463709 0.76 RAB9A (0.61) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL10866984 0.76 RAB9A (0.61) RAB9ANPC1ALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL31243061 0.76 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL31490600 0.76 RAB9A (0.61) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL30883993 0.76 RAB9A (0.61) RAB9ANPC1ALDH1A1KDM4EHSD17B10

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-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-20080113957-A1 Preparation and use of compounds as protease inhibitors SCHERING CORPORATION 2008-05-15 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R RAB9A 2657/4885NPC1 4195/4885ALDH1A1 2656/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R RAB9A 2739/4885NPC1 4203/4885ALDH1A1 2382/4885
US-20080113957-A1 Preparation and use of compounds as protease inhibitors PRSS1, BCHE, PRSS3 RAB9A 3175/4885NPC1 481/4885ALDH1A1 4829/4885

“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.