SCHEMBL4883102

SCHEMBL4883102

c1ccc(-c2cnc(-c3cccc4ncccc34)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
ATM Q13315 1/20 0.56
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.54
ALOX15 P16050 2/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
ATR Q13535 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
GAA P10253 3/20 0.45
CYP1A2 P05177 2/20 0.45
PTPN1 P18031 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CREBBP Q92793 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
SCHEMBL4875259 0.91 ALOX15 (0.56) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL4342614 0.83 ALOX15 (0.69) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL75682 0.82 RAB9A (0.62) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL29374630 0.82 RAB9A (0.62) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL2758623 0.81 RAB9A (0.55) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL1471533 0.79 RAB9A (0.77) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL4658401 0.78 CA12 (0.59) KDM4EATRP2RX7TGFBR1MAPK14
SCHEMBL22440839 0.78 RAB9A (0.60) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL2603403 0.78 KDM4E (0.56) RAB9ANPC1ATMKDM4EALDH1A1
SCHEMBL12601783 0.77 ALOX15 (0.56) RAB9ANPC1ATMKDM4EALDH1A1

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 2981/4885ATM 3878/4885

“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.