SCHEMBL2266974

SCHEMBL2266974

Nc1ccc(Cl)cc1CC(N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 2/20 0.49
USP2 O75604 3/20 0.49
ALOX15 P16050 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 2/20 0.49
HIF1A Q16665 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
RGS12 O14924 1/20 0.49
NFKB1 P19838 1/20 0.49
CASP1 P29466 1/20 0.49
BRCA1 P38398 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL29398451 0.85 CYP2C9 (0.51) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL29398382 0.85 CYP2C9 (0.51) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL21690291 0.85 CYP2C9 (0.51) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL31276470 0.82 CYP2C9 (0.49) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL44904 0.81 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL29350881 0.81 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL44905 0.81 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL1613174 0.81 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL9292075 0.81 GRIA2 (0.47) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL29701247 0.79 SLC7A5 (0.60) CYP2C9CYP3A4USP2ALOX15HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 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 (1 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-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 CYP2C9 4880/4885CYP3A4 4840/4885CYP1A2 4828/4885

“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.