SCHEMBL759935

SCHEMBL759935

COC(=O)c1cc(Br)cc2cnn(Cc3ccc(OC)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.44
UCHL1 P09936 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.41
PKM P14618 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.40
MAPK8 P45983 1/20 0.39
PKLR P30613 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL14404449 0.90 GAA (0.39) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL25375332 0.87 NPBWR1 (0.44) NPBWR1ALDH1A1KMT2AMCHR1HDAC11
SCHEMBL30843270 0.87 KMT2A (0.42) NPBWR1ALDH1A1KDM4ECYP1A2KMT2A
SCHEMBL21458311 0.87 KMT2A (0.42) NPBWR1ALDH1A1KDM4ECYP1A2KMT2A
SCHEMBL30552936 0.86 KDM4E (0.46) NPBWR1ALDH1A1KDM4EGAABRD4
SCHEMBL759179 0.85 NPC1 (0.51) ALDH1A1KDM4EPKMKMT2ASMN1; SMN2
SCHEMBL21506717 0.83 KMT2A (0.41) KDM4EGAAHSD17B10KMT2ASMN1; SMN2
SCHEMBL30408409 0.83 NPBWR1 (0.46) NPBWR1UCHL1ALDH1A1KDM4EGLA
SCHEMBL23938744 0.81 NPBWR1 (0.46) NPBWR1ALDH1A1KDM4EBRD4PKM
SCHEMBL18301358 0.80 NPBWR1 (0.44) NPBWR1BRD4PKMMCHR1PKLR

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 10 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
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

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 NPBWR1 4290/4885UCHL1 4282/4885ALDH1A1 89/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 NPBWR1 4290/4885UCHL1 4282/4885ALDH1A1 89/4885

“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.