SCHEMBL10269727

SCHEMBL10269727

C=C1OB(c2cc(C(=O)OC)c3nn(Cc4ccc(OC)cc4)cc3c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CACNA1G O43497 2/20 0.33
▸ CACNA1H O95180 2/20 0.33
▸ CACNA1I Q9P0X4 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAT2A P31153 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL760501 0.88 UCHL1 (0.45) UCHL1ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL12456444 0.81 UCHL1 (0.45) UCHL1SMN1; SMN2CACNA1HKMT2AMEN1
SCHEMBL762095 0.76 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL23514478 0.71 L3MBTL1 (0.43) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL13823401 0.70 KMT2A (0.42) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL10286760 0.69 EGFR (0.35) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL759896 0.68 UCHL1 (0.56) UCHL1CACNA1HSNCA
SCHEMBL369251 0.68 UCHL1 (0.53) UCHL1ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13348455 0.68 BRD4 (0.38) —
SCHEMBL13650423 0.67 ALDH1A1 (0.34) ALDH1A1KDM4EGAAHPGDHSD17B10

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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 — — US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — 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 (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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 UCHL1 4282/4885ALDH1A1 89/4885CYP1A2 15/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 UCHL1 4282/4885ALDH1A1 89/4885CYP1A2 15/4885

“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.

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