SCHEMBL759000

SCHEMBL759000

O=C1N=C(Cc2ccccc2)C(=O)[NH+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.38
PARP1 P09874 2/20 0.37
AR P10275 1/20 0.37
XDH P47989 1/20 0.35
DAO P14920 1/20 0.34
SORT1 Q99523 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
ELANE P08246 1/20 0.33
LTB4R Q15722 1/20 0.33
CES2 O00748 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
SCHEMBL10733624 0.70 CALM1 (0.50) CALM1PARP1ARDAOSORT1
SCHEMBL6495081 0.64 SORT1 (0.44) CALM1PARP1ARDAOSORT1
SCHEMBL6491993 0.63 CALM1 (0.41) CALM1PARP1ARXDHDAO
SCHEMBL2339223 0.60 CALM1 (0.42) CALM1PARP1ARDAOSORT1
Diphenylmethane SCHEMBL4361124 0.60 CALM1 (1.00) CALM1MAOBALDH1A1HPGD
Diphenylmethane SCHEMBL3792579 0.60 CALM1 (1.00) CALM1MAOBALDH1A1HPGD
Diphenylmethane SCHEMBL28172316 0.60 CALM1 (1.00) CALM1MAOBALDH1A1HPGD
Diphenylmethane SCHEMBL1303 0.60 CALM1 (1.00) CALM1MAOBALDH1A1HPGD
Diphenylmethane SCHEMBL14763944 0.60 CALM1 (1.00) CALM1MAOBALDH1A1HPGD
SCHEMBL852221 0.59 CALM1 (0.41) CALM1PARP1ARDAOSORT1

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 claimed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP claimed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US claimed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO claimed
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
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
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 CALM1 4039/4885PARP1 1358/4885AR 2184/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 CALM1 4039/4885PARP1 1358/4885AR 2184/4885

“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.