SCHEMBL2473544

SCHEMBL2473544

Cc1ccc(-c2cccnn2)c(C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.40
HDAC4 P56524 1/20 0.37
MYC P01106 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
AGER Q15109 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2A6 P11509 1/20 0.34
TGFBR1 P36897 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
WNT3A P56704 3/20 0.33
GRM5 P41594 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PIN1 Q13526 1/20 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
SCHEMBL7911678 0.81 CCR1 (0.50) ALDH1A1KDM4ECYP2A6TGFBR1GRM5
SCHEMBL30775055 0.80 KDM4E (0.48) ALDH1A1KDM4EL3MBTL1SMN1; SMN2GRM5
SCHEMBL3385678 0.80 KDM4E (0.48) ALDH1A1KDM4EL3MBTL1SMN1; SMN2GRM5
SCHEMBL3389125 0.76 KDM4E (0.49) MYCALDH1A1MAPTKDM4ECYP3A4
SCHEMBL264270 0.74 HCRTR2 (0.50) MYCALDH1A1MAPTKDM4ECYP3A4
SCHEMBL30775045 0.74 HCRTR2 (0.50) MYCALDH1A1MAPTKDM4ECYP3A4
SCHEMBL2472468 0.74 CYP2A6 (0.53) ALDH1A1KDM4ECYP3A4CYP2A6HTT
SCHEMBL31372554 0.74 CYP2A6 (0.53) ALDH1A1KDM4ECYP3A4CYP2A6HTT
SCHEMBL2473782 0.74 KMO (0.38) MAPTKDM4EALOX15TGFBR1
SCHEMBL610009 0.74 PIN1 (0.49) DHODHALDH1A1MAPTKDM4ETSHR

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
EP-2370426-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF Glaxo Group Limited (GB) 2011-10-05 EP disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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 (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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B DHODH 2261/4885HDAC4 444/4885MYC 627/4885

“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.