SCHEMBL4875157

SCHEMBL4875157

[c]1cc(-c2ccc3ccccc3n2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
AR P10275 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 7/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 4/20 0.43
PKM P14618 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
PMP22 Q01453 2/20 0.43
HCRTR1 O43613 1/20 0.43

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
SCHEMBL4875167 0.88 MAPT (0.46) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3691463 0.81 ALDH1A1 (0.39) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL29374931 0.79 RAB9A (0.64) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL170196 0.79 RAB9A (0.64) RAB9ANPC1ARCYP3A4CYP1A2
Hydrochloric Acid SCHEMBL31243061 0.77 ALDH1A1 (0.63) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL10866984 0.77 RAB9A (0.61) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL31365172 0.77 RAB9A (0.61) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL34463709 0.77 RAB9A (0.61) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL31490600 0.77 RAB9A (0.61) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL30883993 0.77 RAB9A (0.61) RAB9ANPC1ARCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO claimed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO disclosed
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 US disclosed
US-5366970-A Cephem compounds and pharmaceutically acceptable salts thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-22 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK RAB9A 3960/4885NPC1 2981/4885AR 2784/4885

“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.