SCHEMBL762095

SCHEMBL762095

COC(=O)c1cc(Br)cc2cn(Cc3ccc(OC)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.41
CACNA1G O43497 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40

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
SCHEMBL760762 0.90 KMT2A (0.47) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL10214813 0.85 AURKA (0.47) ALDH1A1KDM4EGAACYP1A2CYP2C19
SCHEMBL23514478 0.82 L3MBTL1 (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL18301351 0.80 KMT2A (0.39) ALDH1A1KDM4EGAACYP1A2CYP2C19
SCHEMBL760501 0.80 UCHL1 (0.45) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL371016 0.76 KMT2A (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL14823853 0.76 KMT2A (0.46) ALDH1A1KDM4EGAAHDAC1CYP1A2
SCHEMBL30953772 0.76 AADAT (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL10269727 0.76 UCHL1 (0.36) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL759935 0.76 NPBWR1 (0.44) ALDH1A1KDM4EGLAGAAHPGD

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 12 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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
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-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 ALDH1A1 89/4885KDM4E 3676/4885GLA 457/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 ALDH1A1 89/4885KDM4E 3676/4885GLA 457/4885

“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.