SCHEMBL4879849

SCHEMBL4879849

Cc1ccccc1-c1ncc(-c2ccccc2)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.66
NPC1 O15118 11/20 0.66
ATM Q13315 1/20 0.66
TSHR P16473 5/20 0.62
ALOX15 P16050 1/20 0.62
CASP1 P29466 1/20 0.62
KMT2A Q03164 4/20 0.58
GAA P10253 4/20 0.58
HPGD P15428 7/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 5/20 0.54
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 3/20 0.54
MITF O75030 1/20 0.54
CREBBP Q92793 1/20 0.52
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52

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
SCHEMBL1471533 0.87 RAB9A (0.77) RAB9ANPC1ATMTSHRALOX15
SCHEMBL29231867 0.86 TSHR (0.62) RAB9ANPC1ATMTSHRALOX15
SCHEMBL12794313 0.86 RAB9A (0.66) RAB9ANPC1ATMTSHRALOX15
SCHEMBL12776790 0.84 RAB9A (0.52) RAB9ANPC1ATMTSHRALOX15
SCHEMBL365956 0.84 ALOX15 (0.65) RAB9ANPC1ATMTSHRALOX15
SCHEMBL3295181 0.84 RAB9A (0.72) RAB9ANPC1ATMTSHRALOX15
SCHEMBL28743529 0.83 TSHR (0.62) RAB9ANPC1ATMTSHRALOX15
SCHEMBL272773 0.81 RAB9A (0.73) RAB9ANPC1ATMTSHRALOX15
SCHEMBL4342614 0.80 ALOX15 (0.69) RAB9ANPC1ATMTSHRALOX15
SCHEMBL10495074 0.79 RAB9A (0.66) RAB9ANPC1ATMTSHRALOX15

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 5 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
CN-109705012-B Preparation method of 2, 5-diaryl five-membered heterocyclic aromatic hydrocarbon 西北师范大学 2022-04-05 CN disclosed
US-20100013386-A1 NEAR INFRARED EMITTING ORGANIC COMPOUNDS AND ORGANIC DEVICES USING THE SAME THOMPSON MARK E 2010-01-21 US disclosed
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 (2 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
US-20100013386-A1 NEAR INFRARED EMITTING ORGANIC COMPOUNDS AND ORGANIC DEVICES USING THE SAME PPOX, PPIL1, PPIF RAB9A 4468/4885NPC1 2012/4885ATM 2249/4885

“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.