SCHEMBL15056522

SCHEMBL15056522

Cc1cc2ncc(-c3cc(O)cc(O)c3)nc2cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
FLT3 P36888 2/20 0.62
PDGFRB P09619 2/20 0.62
KDR P35968 1/20 0.62
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
BCHE P06276 1/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDGFRA P16234 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL15056430 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2FLT3PDGFRB
SCHEMBL2156854 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2FLT3PDGFRB
SCHEMBL30482895 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2FLT3PDGFRB
SCHEMBL29184272 0.76 NPC1 (0.74) NPC1RAB9ASMN1; SMN2FLT3PDGFRB
Ag1295 SCHEMBL925674 0.76 NPC1 (1.00) NPC1RAB9ASMN1; SMN2FLT3PDGFRB
SCHEMBL30846532 0.76 NPC1 (0.74) NPC1RAB9ASMN1; SMN2FLT3PDGFRB
SCHEMBL8499222 0.74 NPC1 (0.70) NPC1RAB9ASMN1; SMN2FLT3PDGFRB
SCHEMBL18885991 0.73 BCHE (0.61) NPC1RAB9ASMN1; SMN2FLT3PDGFRB
SCHEMBL16968755 0.73 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2FLT3PDGFRB
SCHEMBL16968754 0.73 NPC1 (0.50) NPC1RAB9ASMN1; SMN2FLT3PDGFRB

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
EP-2797417-B1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIV DUESSELDORF (DE) 2019-07-31 EP disclosed
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES HEINRICH HEINE UNIVERSITAT DUSSELDORF (DE) 2015-08-06 US disclosed
EP-2797417-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS Heinrich-Heine-Universität Düsseldorf (DE) 2014-11-05 EP disclosed
WO-2013093007-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIVERSITÄT DÜSSELDORF (DE) 2013-06-27 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-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES CBR3, GRHPR, PCK1 NPC1 3014/4885RAB9A 4437/4885SMN1; SMN2 4783/4885

“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.