SCHEMBL2553971

SCHEMBL2553971

CC(=O)c1cc(-n2nc3ccccc3n2)c(O)c(-n2nc3ccccc3n2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
POLB P06746 4/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NSD2 O96028 1/20 0.41
MCL1 Q07820 1/20 0.41
USP2 O75604 1/20 0.36
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL9418498 0.83 NPC1 (0.43) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1263238 0.82 NPC1 (0.62) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8301562 0.81 LIG1 (0.42) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1264001 0.79 NPC1 (0.45) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL17212261 0.79 NPC1 (0.43) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1263210 0.76 NPC1 (0.42) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL12196763 0.73 KDM4E (0.52) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL9418500 0.72 ALDH1A1 (0.37) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL10546687 0.70 NPC1 (0.62) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL2472876 0.69 NPC1 (0.53) NPC1RAB9APOLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274286-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NMPRTase) INHIBITOR FOR GLIOMA THERAPY COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-10-17 US claimed
EP-2552444-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NMPRTase) INHIBITOR FOR GLIOMA THERAPY Council of Scientific & Industrial Research (IN) 2013-02-06 EP claimed
WO-2011121434-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NMPRTase) INHIBITOR FOR GLIOMA THERAPY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-10-06 WO claimed
EP-2552444-B1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NMPRTase) INHIBITOR FOR GLIOMA THERAPY COUNCIL SCIENT IND RES (IN) 2018-10-10 EP disclosed
US-9335332-B2 Nicotinamide phosphoribosyltransferase (NMPRTase) inhibitor for glioma therapy COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-05-10 US disclosed
US-9335332-B2 Nicotinamide phosphoribosyltransferase (NMPRTase) inhibitor for glioma therapy COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-05-10 US disclosed
US-9335332-B2 Nicotinamide phosphoribosyltransferase (NMPRTase) inhibitor for glioma therapy COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-05-10 US disclosed
US-20130274286-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NMPRTase) INHIBITOR FOR GLIOMA THERAPY COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-10-17 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-20130274286-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NMPRTase) INHIBITOR FOR GLIOMA THERAPY NAMPT, NAPRT, NMT1 NPC1 1226/4885RAB9A 2693/4885POLB 2369/4885

“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.