SCHEMBL758451

SCHEMBL758451

CN(C)Cc1c[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SLC6A4 P31645 8/20 0.40
HTR2A P28223 5/20 0.40
HTR1A P08908 4/20 0.40
HTR2C P28335 4/20 0.40
MPO P05164 3/20 0.40
HTR1D P28221 6/20 0.39
HTR1B P28222 5/20 0.39
HTR2B P41595 4/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR1E P28566 2/20 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
SCHEMBL12016746 0.87 HTR1A (0.56) CYP2D6KMT2ASLC6A4HTR2AHTR1A
SCHEMBL1337645 0.85 LPL (0.42) HTR2AHTR1AMPOHTR1DHTR1B
SCHEMBL1337282 0.83 LPL (0.50) HTR2AHTR1AMPOHTR1DHTR1B
SCHEMBL15897087 0.80 ALDH1A1 (0.56) KDM4EMEN1ALDH1A1TSHRCYP2C19
SCHEMBL25776268 0.79 LPL (0.37) HTR1AMPOHTR1DHTR1BLPL
SCHEMBL1337551 0.77 ATM (0.41) LPLLIPG
SCHEMBL27159868 0.75 KDM4E (0.47) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL27159932 0.75 LPL (0.46) KDM4EMEN1ALDH1A1KMT2ASLC6A4
SCHEMBL15912503 0.74 LPL (0.42) HTR2ALPLLIPG
SCHEMBL22438423 0.74 LPL (0.38) HTR2AHTR2CHTR2BLPLLIPG

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 9 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

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 CYP2D6 23/4885KDM4E 3676/4885MEN1 878/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 CYP2D6 23/4885KDM4E 3676/4885MEN1 878/4885

“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.