SCHEMBL6102490

SCHEMBL6102490

CCOc1ccc2cnc(C(=O)O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
ABL1 P00519 1/20 0.50
P4HTM Q9NXG6 2/20 0.48
KDM4E B2RXH2 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
BCL2 P10415 1/20 0.43
MDM2 Q00987 1/20 0.43
MCL1 Q07820 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
PLA2G4B P0C869 1/20 0.42
ALPL P05186 1/20 0.42

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
SCHEMBL4243746 0.88 TSHR (0.47) KDM4ESMN1; SMN2ALDH1A1CYP1A2TSHR
SCHEMBL15020123 0.85 MAPT (0.45) AKR1C3AKR1C2ABL1P4HTMKDM4E
SCHEMBL1202394 0.84 KDM4E (0.56) AKR1C3AKR1C2ABL1P4HTMKDM4E
SCHEMBL21200217 0.82 CBLB (0.48) KDM4ELMNARAB9A
SCHEMBL1202095 0.82 MCL1 (0.51) ABL1ALDH1A1BCL2MDM2MCL1
SCHEMBL4242693 0.81 P4HTM (0.65) P4HTMKDM4EALDH1A1HPGDCYP1A2
SCHEMBL21200444 0.80 PTPN7 (0.40) ABL1KDM4EALDH1A1HPGDMAPT
SCHEMBL1203053 0.80 KDM4E (0.57) AKR1C3AKR1C2ABL1P4HTMKDM4E
SCHEMBL29923914 0.79 KDM4E (0.55) AKR1C3AKR1C2ABL1P4HTMKDM4E
SCHEMBL1403507 0.77 P4HTM (0.63) P4HTMKDM4EALDH1A1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP AKR1C3 1601/4885AKR1C2 2033/4885ABL1 3372/4885

“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.