SCHEMBL70803

SCHEMBL70803

CC(=O)c1ccc(-c2ccccn2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
CCR1 P32246 3/20 0.47
CCR5 P51681 3/20 0.47
CCR8 P51685 3/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALPL P05186 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.44
P4HTM Q9NXG6 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL70363 0.86 LMNA (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL90998 0.80 LMNA (0.52) KDM4ELMNATP53HTTSMN1; SMN2
SCHEMBL3165743 0.73 ALDH1A1 (0.63) KDM4ECCR1CCR5CCR8LMNA
Dipyridyl SCHEMBL11231947 0.73 KDM4E (0.67) KDM4ECCR1CCR5CCR8LMNA
Dipyridyl SCHEMBL9641711 0.73 KDM4E (0.67) KDM4ECCR1CCR5CCR8LMNA
Dipyridyl SCHEMBL4881410 0.73 KDM4E (0.67) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL8580008 0.72 KDM4E (0.52) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL29894130 0.72 LMNA (0.68) LMNAHTTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL427326 0.72 LMNA (0.68) LMNAHTTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5838653 0.72 NPSR1 (0.51) KDM4ECCR1CCR5CCR8LMNA

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-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KDM4E 1623/4885CCR1 1123/4885CCR5 308/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KDM4E 1623/4885CCR1 1123/4885CCR5 308/4885

“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.