SCHEMBL4770697

SCHEMBL4770697

CCOC(=O)c1ccnc(-c2ccc(F)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 7/20 0.59
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
MAPK14 Q16539 2/20 0.49
GCGR P47871 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CASP3 P42574 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL28332645 0.89 JMJD6 (0.59) JMJD6ALDH1A1KDM4EHPGDLMNA
SCHEMBL4763737 0.89 JMJD6 (0.61) JMJD6KDM4ELMNANPC1RAB9A
SCHEMBL4768876 0.86 JMJD6 (0.59) JMJD6ALDH1A1KDM4EHPGDLMNA
SCHEMBL4763698 0.86 JMJD6 (0.64) JMJD6ALDH1A1LMNANPC1RAB9A
SCHEMBL4763680 0.86 JMJD6 (0.67) JMJD6ALDH1A1KDM4ELMNANPC1
SCHEMBL4764458 0.85 JMJD6 (0.55) JMJD6ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL30171421 0.85 JMJD6 (0.76) JMJD6KDM4EPIK3CA
SCHEMBL811785 0.85 JMJD6 (0.76) JMJD6KDM4EPIK3CA
SCHEMBL31211636 0.85 JMJD6 (0.57) JMJD6L3MBTL1KDM4ELMNANPC1
SCHEMBL4766855 0.85 JMJD6 (0.57) JMJD6ALDH1A1L3MBTL1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 JMJD6 1967/4885ALDH1A1 1083/4885L3MBTL1 3712/4885

“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.