SCHEMBL3079376

SCHEMBL3079376

COc1ccc2nccc(C(=O)O)c2c1.[NaH]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.97
KDM4E B2RXH2 4/20 0.74
MAPK1 P28482 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CYP1A2 P05177 1/20 0.58
KDM4C Q9H3R0 5/20 0.55
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52
KDM5A P29375 3/20 0.52
KDM5B Q9UGL1 2/20 0.52
SLC22A12 Q96S37 1/20 0.52
KDM4A O75164 1/20 0.49
DDR2 Q16832 1/20 0.49
PLA2G2A P14555 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49

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
SCHEMBL30120700 0.98 LMNA (1.00) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL39557 0.98 LMNA (1.00) LMNAKDM4EMAPK1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL9081231 0.97 LMNA (0.97) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL29048387 0.97 LMNA (0.97) LMNAKDM4EMAPK1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL28580096 0.97 LMNA (0.97) LMNAKDM4EMAPK1NPSR1ALDH1A1
Ammonia Solution, Strong SCHEMBL1760797 0.97 LMNA (0.97) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL4353000 0.97 LMNA (0.97) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL3074710 0.97 LMNA (0.97) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL3079277 0.97 LMNA (0.97) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL3076842 0.97 LMNA (0.97) LMNAKDM4EMAPK1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227827-A1 METHOD OF INCREASING TRYPTOPHAN AND NICOTINAMIDE LEVELS IN VIVO GENETIC HEALTH ENTERPRISES (PTY) LTD. (ZA) 2010-09-09 US disclosed
US-20090275656-A1 Medicinal Compositions of Salts, Chelates and/or Free Acids of Alpha Hydroxyl Organic Acids and Related Processes and Methods GENETIC HEALTH ENTERPRISES (PTY) LTD. (ZA) 2009-11-05 US disclosed
WO-2008008837-A2 A METHOD OF INCREASING TRYPTOPHAN AND NICOTINAMIDE LEVELS IN VIVO LYNPETE TRADING 6 (PTY) LTD. TRADING AS GENETIC HEALTH ENTERPRISES (ZA) 2008-01-17 WO disclosed
EP-1858500-A2 MEDICINAL COMPOSITIONS OF SALTS, CHELATES AND/OR FREE ACIDS OF ALPHA HYDROXYL ORGANIC ACIDS AND RELATED PROCESSES AND METHODS Pero, Ronald W. (SE) 2007-11-28 EP disclosed
WO-2006101922-A2 MEDICINAL COMPOSITIONS OF SALTS, CHELATES AND/OR FREE ACIDS OF ALPHA HYDROXYL ORGANIC ACIDS AND RELATED PROCESSES AND METHODS PERO RONALD W (SE) 2006-09-28 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-20100227827-A1 METHOD OF INCREASING TRYPTOPHAN AND NICOTINAMIDE LEVELS IN VIVO NNMT, AADAT, AANAT LMNA 2527/4885KDM4E 3673/4885MAPK1 3443/4885

“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.