SCHEMBL4774129

SCHEMBL4774129

CCOC(=O)c1ccnc(-c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
HPGD P15428 1/20 0.56
MAPT P10636 3/20 0.55
USP2 O75604 1/20 0.55
HDAC1 Q13547 1/20 0.55
JMJD6 Q6NYC1 5/20 0.55
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
HSD17B2 P37059 1/20 0.50
NPC1 O15118 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49

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
SCHEMBL4122249 0.87 JMJD6 (0.55) HTTMAPTJMJD6PDGFRBPDGFRA
SCHEMBL4129281 0.86 JMJD6 (0.54) HTTHDAC1JMJD6PDGFRBPDGFRA
SCHEMBL4766855 0.84 JMJD6 (0.57) HPGDMAPTHDAC1JMJD6NPC1
SCHEMBL29932915 0.82 HDAC1 (0.58) MAPTHDAC1MEN1GAAKMT2A
SCHEMBL4763737 0.82 JMJD6 (0.61) MAPTHDAC1JMJD6NPC1LMNA
SCHEMBL15129879 0.82 KDM4C (0.61) HDAC1TSHR
SCHEMBL4128748 0.82 JMJD6 (0.50) HTTMAPTJMJD6PDGFRBPDGFRA
SCHEMBL30171421 0.82 JMJD6 (0.76) JMJD6
SCHEMBL811785 0.82 JMJD6 (0.76) JMJD6
SCHEMBL31211636 0.82 JMJD6 (0.57) MAPTJMJD6PDGFRBPDGFRANPC1

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
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 HTT 3809/4885HPGD 812/4885MAPT 4305/4885

“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.