SCHEMBL4820741

SCHEMBL4820741

CCN(CC)C(=O)c1ccc2c(N)cccc2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 7/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 1/20 0.39
HTR3A P46098 1/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2909537 0.78 MGAM (0.56) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL29044143 0.77 MEN1 (0.66) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL5200482 0.77 TSPO (0.49) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL4819768 0.77 GRM2 (0.47) KMT2AALDH1A1HPGDLMNANPC1
SCHEMBL12487467 0.76 ALDH1A1 (0.50) KDM4AALDH1A1HPGDLMNANPC1
SCHEMBL3535547 0.75 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4822253 0.75 BRD4 (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL28973338 0.73 KDM4E (0.61) KDM4AALDH1A1HPGDLMNAL3MBTL1
SCHEMBL10085785 0.73 P2RX7 (0.54) KDM4AMEN1KMT2AALDH1A1HPGD
SCHEMBL14018728 0.70 ALDH1A1 (0.51) ALDH1A1HPGDLMNAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 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-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 KDM4A 3155/4885MEN1 4490/4885KMT2A 3773/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 KDM4A 3155/4885MEN1 4490/4885KMT2A 3773/4885

“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.