SCHEMBL13149779

SCHEMBL13149779

NCCC(=O)Nc1ccon1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
TP53 P04637 1/20 0.52
POLB P06746 2/20 0.51
ATM Q13315 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47

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
Hydrochloric Acid SCHEMBL3090336 0.98 GAPDH (0.56) GAPDHL3MBTL1KDM4EALDH1A1RXFP1
SCHEMBL13059408 0.83 ATM (0.59) GAPDHL3MBTL1KDM4EALDH1A1RXFP1
SCHEMBL9912435 0.80 GAPDH (0.58) GAPDHL3MBTL1KDM4EALDH1A1RXFP1
SCHEMBL15773028 0.79 ATM (0.62) GAPDHL3MBTL1KDM4EALDH1A1RXFP1
SCHEMBL4109619 0.79 ATM (0.58) GAPDHL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL147658 0.79 GAPDH (0.56) GAPDHL3MBTL1KDM4EALDH1A1RXFP1
SCHEMBL1428340 0.79 GAPDH (0.56) GAPDHL3MBTL1KDM4EALDH1A1HTT
SCHEMBL1849345 0.78 ATM (0.61) GAPDHL3MBTL1KDM4EALDH1A1RXFP1
SCHEMBL18704573 0.77 L3MBTL1 (0.70) GAPDHL3MBTL1SMN1; SMN2GAATP53
SCHEMBL27286691 0.76 GAPDH (0.57) GAPDHL3MBTL1KDM4EALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
WO-2008000421-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-03 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-20100120865-A1 Organic compounds PIK3C3, PIK3R3, PIK3R4 GAPDH 1368/4885L3MBTL1 4445/4885KDM4E 3125/4885

“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.