SCHEMBL6829137

SCHEMBL6829137

N#Cc1cccc(-c2cc(C=NCC3CCNCC3)cc(C(=O)O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MCHR1 Q99705 2/20 0.36
KAT6A Q92794 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
FFAR2 O15552 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CHRM3 P20309 1/20 0.35
PIN1 Q13526 1/20 0.35
PAX8 Q06710 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL6829134 1.00 P2RY14 (0.39) P2RY14XDHSLC22A12SLC6A2SLC6A4
SCHEMBL6832720 0.89 PLAU (0.38) SLC6A2SLC6A4SLC6A3MCHR1KAT6A
SCHEMBL6832722 0.89 PLAU (0.38) SLC6A2SLC6A4SLC6A3MCHR1KAT6A
SCHEMBL6834695 0.82 GPR119 (0.42)
SCHEMBL6832947 0.76 CHRM3 (0.44) P2RY14XDHSLC22A12SLC6A2SLC6A4
SCHEMBL4856931 0.75 TRIM24 (0.52) XDHSLC22A12KAT6AIKBKBCHUK
SCHEMBL6831983 0.73 NOTCH1 (0.41)
SCHEMBL6831982 0.73 NOTCH1 (0.41)
SCHEMBL7803345 0.73 XDH (0.60) XDHSLC22A12KAT6AIKBKBCHUK
SCHEMBL5529069 0.69 XDH (0.62) XDHSLC22A12KAT6APIN1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US claimed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 EP claimed
US-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US disclosed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 EP 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-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives CCNY, ACLY, IWS1 P2RY14 4139/4885XDH 1725/4885SLC22A12 3940/4885

“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.