SCHEMBL13622757

SCHEMBL13622757

Cc1ccc(C(=O)ON2C(=O)CCC2=O)c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 6/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 1/20 0.33
GRM5 P41594 2/20 0.32
TKT P29401 2/20 0.31
PARP1 P09874 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31

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
SCHEMBL6273771 0.85 RECQL (0.37) RECQLKDM4EALDH1A1CYP2C19GABRP
SCHEMBL15882986 0.83 MGLL (0.35) KMT2ASMN1; SMN2POLBMGLLFAAH
SCHEMBL29942878 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL1266209 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL15316356 0.74 RECQL (0.47) RECQLKDM4EALDH1A1CYP2C19GRM5
SCHEMBL9708902 0.73 MGLL (0.36) MAPTKMT2ASMN1; SMN2POLBMGLL
SCHEMBL510572 0.72 ALDH1A1 (0.54) RECQLKDM4EALDH1A1HPGDCYP2C19
SCHEMBL21936822 0.72 RECQL (0.35) RECQLCYP2C19MEN1KMT2APOLB
SCHEMBL3403578 0.71 ALDH1A1 (0.51) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL8335906 0.71 ITGB1 (0.43) KDM4EALDH1A1HPGDCYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 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 (2 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-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 RECQL 1901/4885KDM4E 2241/4885ALDH1A1 2412/4885
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 RECQL 1279/4885KDM4E 2834/4885ALDH1A1 1109/4885

“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.