SCHEMBL23782847

SCHEMBL23782847

COc1nn(C(=O)O)c2ccc(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.40
MAPT P10636 4/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 4/20 0.40
PKM P14618 3/20 0.40
ALOX15 P16050 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ELANE P08246 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 5/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL11897091 0.88 ESR1 (0.37) HPGDMAPTHSD17B10KDM4EPKM
SCHEMBL23783009 0.84 ELANE (0.51) ELANELMNA
SCHEMBL30501085 0.82 HTR6 (0.45) HPGDMAPTHSD17B10KDM4EPKM
SCHEMBL23782795 0.82 HTR6 (0.45) HPGDMAPTHSD17B10KDM4EPKM
SCHEMBL23782985 0.80 GAA (0.42) HPGDMAPTHSD17B10KDM4EPKM
SCHEMBL23782714 0.80 ELANE (0.49) HPGDKDM4ECYP1A2CYP2C19ELANE
SCHEMBL14739013 0.76 ELANE (0.36) HPGDMAPTHSD17B10KDM4EPKM
SCHEMBL23783178 0.75 CSF1R (0.36) HIF1A
SCHEMBL2671412 0.72 KDM4E (0.41) HPGDMAPTHSD17B10KDM4EELANE
SCHEMBL19532533 0.72 ABCB11 (0.42) MAPTKDM4EELANEGAAABCB11

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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 HPGD 2992/4885MAPT 66/4885HSD17B10 3168/4885

“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.