SCHEMBL931453

SCHEMBL931453

O=C(CCN1CNc2c1nc[nH]c2=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MTNR1A P48039 2/20 0.51
ALDH1A1 P00352 1/20 0.49
AANAT Q16613 1/20 0.49
MAPT P10636 1/20 0.49
UBE2N P61088 1/20 0.49
IDE P14735 1/20 0.47
KDM1A O60341 1/20 0.47
GFER P55789 1/20 0.47
ERAP2 Q6P179 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 1/20 0.45

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
SCHEMBL931472 0.89 TRPV1 (0.52) ALDH1A1MAPTCYP1A2BLM
SCHEMBL7570987 0.85 MEN1 (0.51) MEN1KMT2AMTNR1AALDH1A1AANAT
SCHEMBL931907 0.79 MAPT (0.43) MEN1KMT2AALDH1A1MAPTIDE
SCHEMBL7394401 0.76 MEN1 (0.55) MEN1KMT2AMTNR1AALDH1A1AANAT
SCHEMBL5332984 0.75 TRPV1 (0.49) ALDH1A1MAPTCYP1A2BLM
SCHEMBL7677886 0.73 MEN1 (0.84) MEN1KMT2AMTNR1AALDH1A1AANAT
SCHEMBL7684221 0.72 HPRT1 (0.45) KMT2ASMN1; SMN2
SCHEMBL7375871 0.71 HPRT1 (0.58) MEN1KMT2AMAPTTSHRL3MBTL1
SCHEMBL761481 0.71 MTNR1A (0.88) MEN1KMT2AMTNR1AALDH1A1AANAT
SCHEMBL19051489 0.71 MEN1 (0.80) MEN1KMT2AMTNR1AALDH1A1AANAT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303617-B1 FOR THERAPY OF OBESITY, LOWERING SERUM CHOLESTEROL AND HIGH DENSITY LIPOPROTEIN IN MAMMALS, INHIBITOR OF MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-16 US claimed
WO-1999057120-A9 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS INC (US) 2000-02-03 WO claimed
WO-1999057120-A1 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS, INC. (US) 1999-11-11 WO claimed
EP-1334103-B1 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS SPECTRUM PHARMACEUTICALS INC (US) 2011-01-12 EP disclosed
EP-1790344-A2 Methods for treatment of disease-induced peripheral neuropathy and related conditions Spectrum Pharmaceuticals, Inc. (US) 2007-05-30 EP disclosed
US-6630490-B2 Purine derivative or analogue NEOTHERAPEUTICS, INC. 2003-10-07 US disclosed
US-6630478-B2 Administering to patient with drug-induced peripheral neuropathy an effective quantity of a purine derivative or analogue, a tetrahydroindolone derivative or analogue, or a pyrimidine derivative or analogue NEOTHERAPEUTICS, INC. 2003-10-07 US disclosed
EP-1334103-A2 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS Neotherapeutics, Inc. (US) 2003-08-13 EP disclosed
EP-1334104-A2 METHODS FOR TREATMENT OF DRUG-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS Neotherapeutics, Inc. (US) 2003-08-13 EP disclosed
US-20020128264-A1 Methods for treatment of conditions affected by activity of multidrug transporters NEOTHERAPEUTICS, INC. 2002-09-12 US disclosed
WO-2002058736-A2 USE OF 9-SUBSTITUTED PURINE ANALOGUES AND OTHER MOLECULES TO STIMULATE NEUROGENESIS NEOTHERAPETICS, INC. (US) 2002-08-01 WO disclosed
WO-2002004450-A2 METHODS FOR PREVENTION OF ACCUMULATION OF AMYLOID BETA PEPTIDE IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004449-A2 METHODS FOR TREATMENT OF CONDITIONS AFFECTED BY ACTIVITY OF MULTIDRUG TRANSPORTERS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004452-A2 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004451-A2 METHODS FOR STIMULATION OF SYNTHESIS OF SYNAPTOPHYSIN IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
US-6303617-B1 FOR THERAPY OF OBESITY, LOWERING SERUM CHOLESTEROL AND HIGH DENSITY LIPOPROTEIN IN MAMMALS, INHIBITOR OF MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-16 US disclosed
WO-1999057120-A9 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS INC (US) 2000-02-03 WO disclosed
WO-1999057120-A9 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS INC (US) 2000-02-03 WO disclosed
WO-1999057120-A1 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS, INC. (US) 1999-11-11 WO disclosed
WO-1999057120-A1 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS, INC. (US) 1999-11-11 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-20020128264-A1 Methods for treatment of conditions affected by activity of multidrug transporters SLC29A1, ABCB1, NUDT1 MEN1 4715/4885KMT2A 4036/4885MTNR1A 1461/4885

“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.