SCHEMBL3544309

SCHEMBL3544309

NC(=O)c1ncccc1C[C]=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.38
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SARM1 Q6SZW1 1/20 0.34

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
SCHEMBL22089678 0.85 KDM4E (0.44) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL30732590 0.85 KDM4E (0.44) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL11833076 0.84 KDM4E (0.64) KDM4EMAPTCYP1A2ALDH1A1CYP3A4
SCHEMBL28001171 0.82 KDM4E (0.50) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL4024006 0.81 KDM4E (0.46) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL4030545 0.80 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL2516051 0.80 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL1503132 0.80 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL957004 0.79 KDM4E (0.47) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL29483170 0.79 KDM4E (0.47) KDM4EMAPTCYP1A2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US claimed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US claimed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US claimed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP claimed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US claimed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 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 (4 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 KDM4E 1843/4885MAPT 4846/4885CYP1A2 360/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 KDM4E 1072/4885MAPT 4870/4885CYP1A2 307/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 KDM4E 1890/4885MAPT 4856/4885CYP1A2 378/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 KDM4E 2022/4885MAPT 4849/4885CYP1A2 378/4885

“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.