SCHEMBL11941389

SCHEMBL11941389

Nc1c[nH]cc1C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.61
KMT2A Q03164 3/20 0.58
HPGD P15428 5/20 0.55
GAA P10253 2/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
APEX1 P27695 1/20 0.54
METAP2 P50579 1/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
SGMS2 Q8NHU3 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL2236766 0.81 HPGD (0.77) NSD2KMT2AHPGDGAALMNA
SCHEMBL11901003 0.79 KMT2A (0.89) NSD2KMT2AHPGDGAALMNA
SCHEMBL31680569 0.79 KMT2A (0.89) NSD2KMT2AHPGDGAALMNA
SCHEMBL11403224 0.77 NSD2 (0.85) NSD2KMT2AHPGDGAALMNA
SCHEMBL11937457 0.77 KMT2A (0.54) NSD2KMT2AHPGDGAALMNA
Glycine SCHEMBL29048907 0.76 HPGD (0.68) NSD2KMT2AHPGDGAALMNA
SCHEMBL11686594 0.76 NSD2 (0.60) NSD2KMT2AHPGDGAALMNA
SCHEMBL4478849 0.76 NSD2 (1.00) NSD2KMT2AHPGDGAALMNA
SCHEMBL17774887 0.75 NSD2 (0.58) NSD2KMT2AHPGDGAALMNA
SCHEMBL8635709 0.74 KMT2A (1.00) NSD2KMT2AHPGDGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 NSD2 1594/4885KMT2A 1484/4885HPGD 270/4885

“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.