SCHEMBL4876706

SCHEMBL4876706

Cc1nc2ccc(-c3ncc(-c4ccccc4)o3)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 8/20 0.60
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
KDM4E B2RXH2 6/20 0.60
HPGD P15428 6/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
STAT1 P42224 2/20 0.60
HCRTR1 O43613 1/20 0.60
DGAT1 O75907 1/20 0.56
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
POLB P06746 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.50
GFER P55789 2/20 0.50

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
SCHEMBL4883099 0.89 DGAT1 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4876062 0.88 KDM4E (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4876207 0.86 PTPN1 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6881507 0.79 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30572573 0.79 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4883928 0.75 ALOX15 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL18280244 0.74 ALOX15 (0.78) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14346007 0.74 NPC1 (0.78) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10726923 0.73 ALOX15 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2457137 0.73 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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 2 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 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

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 2981/4885ALDH1A1 404/4885

“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.