SCHEMBL4642161

SCHEMBL4642161

Nc1cc(NC(=O)O)nc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
PABPC1 P11940 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
DNMT1 P26358 1/20 0.39
DNMT3L Q9UJW3 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 1/20 0.35
GABRP O00591 2/20 0.33
GABRD O14764 2/20 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
SCHEMBL10631607 0.86 RAB9A (0.44) MEN1MAPTKMT2ANPC1PABPC1
SCHEMBL15942899 0.82 GAA (0.49) MEN1MAPTKMT2ANPC1PABPC1
SCHEMBL4386497 0.78 NOS2 (0.47) MAPTNPC1RAB9ALCK
SCHEMBL28406968 0.77 CDK8 (0.35) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL18146934 0.73 FBP1 (0.46) MEN1MAPTKMT2ARAB9AGAA
SCHEMBL3331353 0.72 MAPT (0.50) MEN1MAPTKMT2ANPC1PABPC1
SCHEMBL1553839 0.71 F11 (0.46) ADORA3
SCHEMBL1553840 0.71 F11 (0.46) ADORA3
SCHEMBL1886893 0.71 NPC1 (0.62) MEN1MAPTKMT2ANPC1PABPC1
SCHEMBL11341693 0.71 HRH4 (0.53) CA12CA1CA2CA9

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
EP-1957057-A1 STRUCTURAL CAROTENOID ANALOGS OR DERIVATIVES FOR THE MODULATION OF SYSTEMIC AND/OR TARGET ORGAN REDOX STATUS Cardax Pharmaceuticals, Inc. (US) 2008-08-20 EP disclosed
US-20070238793-A1 Structural carotenoid analogs or derivatives for the modulation of systemic and/or target organ redox status CARDAX PHARMACEUTICALS, INC. 2007-10-11 US disclosed
WO-2007067957-A1 STRUCTURAL CAROTENOID ANALOGS OR DERIVATIVES FOR THE MODULATION OF SYSTEMIC AND/OR TARGET ORGAN REDOX STATUS CARDAX PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070087360-A1 Methods and compositions for detecting nucleotides APPLIED BIOSYSTEMS, LLC 2007-04-19 US disclosed
US-20070020667-A1 Methods and compositions for amplifying nucleic acids APPLIED BIOSYSTEMS, LLC 2007-01-25 US disclosed
WO-2006028496-A2 LESION REPAIR POLYMERASE COMPOSITIONS APPLERA CORPORATION (US) 2006-03-16 WO disclosed
US-20050215529-A1 Method of treating oxidative stress-associated conditions with isopentenyl diphosphate THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-09-29 US disclosed
US-20050196392-A1 Primer extension reactions, DNA sequencing, genotyping, and nucleic acid amplification techniques such as the polymerase chain reaction; kit comprising a terminator, a buffering agent, a divalent cation, and an additive APPLIED BIOSYSTEMS, LLC 2005-09-08 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 (3 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-20070020667-A1 Methods and compositions for amplifying nucleic acids POLRMT, POLN, RNGTT MEN1 853/4885MAPT 3000/4885KMT2A 1503/4885
US-20050196392-A1 Primer extension reactions, DNA sequencing, genotyping, and nucleic acid amplification techniques such as the polymerase chain reaction; kit comprising a terminator, a buffering agent, a divalent cation, and an additive POLB, POLH, POLN MEN1 1407/4885MAPT 4341/4885KMT2A 1961/4885
US-20070238793-A1 Structural carotenoid analogs or derivatives for the modulation of systemic and/or target organ redox status LPO, TXN2, TXNRD2 MEN1 3729/4885MAPT 3121/4885KMT2A 4315/4885

“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.