SCHEMBL4877547

SCHEMBL4877547

Brc1ccc(-c2cnc(-c3ccncc3)o2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.71
NPC1 O15118 7/20 0.71
KDM4E B2RXH2 6/20 0.71
ALDH1A1 P00352 6/20 0.71
HPGD P15428 6/20 0.71
HSD17B10 Q99714 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
GAA P10253 3/20 0.71
TP53 P04637 3/20 0.71
STAT1 P42224 1/20 0.71
MAPT P10636 2/20 0.61
POLB P06746 1/20 0.61
TSHR P16473 2/20 0.59
CASP3 P42574 2/20 0.59
SENP8 Q96LD8 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
SENP6 Q9GZR1 2/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL10137894 0.91 RAB9A (0.71) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL28411650 0.84 TSHR (0.82) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL28161163 0.84 TSHR (0.82) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL28710167 0.84 TSHR (0.82) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL10719050 0.83 RAB9A (0.71) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2758613 0.83 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL6749406 0.83 RAB9A (0.71) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2758639 0.83 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4875237 0.83 RAB9A (0.71) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL3025349 0.82 ALOX15 (0.79) RAB9ANPC1KDM4EALDH1A1HPGD

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 3 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
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 2981/4885KDM4E 2869/4885

“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.