SCHEMBL3822283

SCHEMBL3822283

O=[N+]([O-])c1cnc(Oc2ccc3ncccc3c2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PIN1 Q13526 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PPARG P37231 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MET P08581 3/20 0.39
SRC P12931 2/20 0.39
KIT P10721 1/20 0.39
FGFR2 P21802 1/20 0.39

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
SCHEMBL3802331 0.86 ALDH1A1 (0.62) ALDH1A1PIN1MEN1KMT2APPARG
SCHEMBL29612551 0.84 PPARG (0.53) ALDH1A1PIN1MEN1KMT2APPARG
SCHEMBL28730677 0.84 PPARG (0.53) ALDH1A1PIN1MEN1KMT2APPARG
SCHEMBL9800655 0.82 KMT2A (0.64) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL9800709 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL3821627 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APPARGCYP3A4
SCHEMBL10654138 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL11190542 0.77 LMNA (0.51) PIN1MEN1KMT2AMAPTLMNA
SCHEMBL10855655 0.76 MAPK1 (0.62) ALDH1A1PIN1MEN1KMT2APPARG
SCHEMBL3799780 0.76 ALDH1A1 (0.47) ALDH1A1PIN1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040988-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2013-02-14 US disclosed
US-20120309786-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2012-12-06 US disclosed
US-8269010-B2 3-amino-pyridine derivatives for the treatment of metabolic disorders PIRAMAL HEALTHCARE LIMITED (IN) 2012-09-18 US disclosed
US-20090247574-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2009-10-01 US disclosed
EP-2094687-A1 3 -AMINO- PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Life Sciences Limited (IN) 2009-09-02 EP disclosed
WO-2008035306-A1 3 -AMINO- PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-27 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 (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-20130040988-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, ABAT, GOT2 ALDH1A1 923/4885PIN1 3212/4885MEN1 1396/4885
US-20120309786-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, ABAT, PYGL ALDH1A1 979/4885PIN1 2886/4885MEN1 1555/4885
US-20090247574-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, ABAT, PDXK ALDH1A1 1121/4885PIN1 2937/4885MEN1 1941/4885

“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.