SCHEMBL2263341

SCHEMBL2263341

Nc1ccncc1CC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
SLC7A5 Q01650 3/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 2/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HIF1A Q16665 2/20 0.45
LMNA P02545 2/20 0.45
BLM P54132 2/20 0.45
PMP22 Q01453 2/20 0.45
RGS12 O14924 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL28741574 0.82 GRIA1 (0.48) HSD17B10SLC7A5CYP3A4KDM4EMEN1
SCHEMBL30759485 0.82 HSD17B10 (0.47) HSD17B10SLC7A5CYP3A4KDM4EMEN1
SCHEMBL31370064 0.81 HSD17B10 (0.46) HSD17B10SLC7A5CYP3A4KDM4EMEN1
SCHEMBL31000634 0.79 LOXL2 (0.51) HSD17B10SLC7A5CYP3A4KDM4EMEN1
SCHEMBL31754328 0.79 HSD17B10 (0.47) HSD17B10SLC7A5CYP3A4KDM4EMEN1
SCHEMBL31754294 0.79 LOXL2 (0.51) HSD17B10SLC7A5CYP3A4KDM4EMEN1
SCHEMBL13957557 0.79 GRIA1 (0.48) HSD17B10SLC7A5CYP3A4KDM4EMEN1
SCHEMBL8009926 0.78 HSD17B10 (0.44) HSD17B10SLC7A5CYP3A4KDM4EMEN1
SCHEMBL22775130 0.78 SLC7A5 (0.44) HSD17B10SLC7A5CYP3A4KDM4EMEN1
SCHEMBL25357761 0.78 TDP1 (0.47) HSD17B10SLC7A5CYP3A4KDM4EMEN1

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 HSD17B10 3955/4885SLC7A5 3081/4885CYP3A4 4840/4885

“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.