SCHEMBL2329015

SCHEMBL2329015

O=C(O)c1nnc(-c2ccccc2)o1.[NaH]

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.89
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 3/20 0.63
GAA P10253 1/20 0.63
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
PKM P14618 1/20 0.57
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CES1 P23141 3/20 0.55
HDAC6 Q9UBN7 1/20 0.51
NOTUM Q6P988 2/20 0.50
HIF1A Q16665 1/20 0.50
ATAD2 Q6PL18 1/20 0.50

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
SCHEMBL2330752 0.98 PTPN1 (0.93) PTPN1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL1222382 0.96 PTPN1 (0.89) PTPN1SMN1; SMN2ALDH1A1GAANPC1
Hydrochloric Acid SCHEMBL19118776 0.96 PTPN1 (0.89) PTPN1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL27790021 0.86 PTPN1 (0.73) PTPN1SMN1; SMN2ALDH1A1GAANPC1
Hydrochloric Acid SCHEMBL27933403 0.85 PTPN1 (0.71) PTPN1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL12831210 0.83 PTPN1 (0.69) PTPN1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL893125 0.83 PTPN1 (0.69) PTPN1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL3093950 0.83 PTPN1 (0.69) PTPN1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL8840165 0.81 PTPN1 (0.72) PTPN1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL19075480 0.81 PTPN1 (0.72) PTPN1SMN1; SMN2ALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3263583-A1 IAP BIR DOMAIN BINDING COMPOUNDS Pharmascience Inc. (CA) 2018-01-03 EP disclosed
EP-2534170-B1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2017-04-19 EP disclosed
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
CN-102985439-A IAP BIR domain binding compounds AEGERA THERAPEUTICS INC 2013-03-20 CN disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
EP-2534170-A1 IAP BIR DOMAIN BINDING COMPOUNDS Pharmascience Inc. (CA) 2012-12-19 EP disclosed
WO-2011098904-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-08-18 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 (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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PTPN1 2549/4885SMN1; SMN2 2028/4885ALDH1A1 4122/4885

“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.