SCHEMBL732657

SCHEMBL732657

CCOc1cc(N)ccc1C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
HCRTR1 O43613 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL730002 0.88 HTR2A (0.51) KDM4EGAAMAPTHCRTR1NPC1
SCHEMBL10607129 0.84 MAPT (0.50) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL10607641 0.84 RAB9A (0.62) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2337419 0.83 TDP1 (0.62) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL728203 0.82 ALDH1A1 (0.67) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL24074069 0.82 TSHR (0.61) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL578910 0.82 ALDH1A1 (0.67) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL6154000 0.82 MKNK1 (0.55) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL4001016 0.79 CYP1A2 (0.58) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL1186372 0.78 MCHR1 (0.60) KDM4EHCRTR1ALDH1A1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
US-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
US-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
US-20110152225-A1 PPAR-Gamma Agonists for the Induction of Cationic Antimicrobial Peptide Expression as Immunoprotective Stimulants NOGRA PHARMA LIMITED (IE) 2011-06-23 US disclosed
US-20110152225-A1 PPAR-Gamma Agonists for the Induction of Cationic Antimicrobial Peptide Expression as Immunoprotective Stimulants NOGRA PHARMA LIMITED (IE) 2011-06-23 US disclosed
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2009-05-07 US disclosed
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2009-05-07 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-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field EGFR, ERBB3, FGFR3 KDM4E 4603/4885GAA 4198/4885MAPT 4833/4885
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 KDM4E 4435/4885GAA 4336/4885MAPT 4827/4885
US-20110152225-A1 PPAR-Gamma Agonists for the Induction of Cationic Antimicrobial Peptide Expression as Immunoprotective Stimulants PPARG, FABP2, PPARD KDM4E 4571/4885GAA 2734/4885MAPT 4822/4885

“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.