SCHEMBL4512708

SCHEMBL4512708

CN(CCO)c1c(-c2ccc(Cl)cc2)ccnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A5 Q14940 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
LRRK2 Q5S007 2/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
NEK1 Q96PY6 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
AURKB Q96GD4 1/20 0.34
AURKAIP1 Q9NWT8 1/20 0.34
SLC6A9 P48067 1/20 0.33
PIM1 P11309 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK1 P06493 1/20 0.32
BRD4 O60885 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL4525365 0.89 PIK3CA (0.38) SLC9A5KDM4EALDH1A1LMNAPOLB
SCHEMBL4525263 0.88 CHEK1 (0.39) SLC9A5KDM4EALDH1A1POLBLRRK2
SCHEMBL4515991 0.81 PIK3CA (0.35) KDM4EALDH1A1AURKBL3MBTL1
SCHEMBL4517455 0.80 STK4 (0.40) ALDH1A1LMNAPOLBLRRK2STK4
SCHEMBL4509953 0.80 FFAR4 (0.34) KDM4EALDH1A1LRRK2STK4STK3
SCHEMBL4514397 0.80 MAPK14 (0.35) KDM4EALDH1A1AURKBL3MBTL1
SCHEMBL4516320 0.73 FYN (0.37) ALDH1A1LMNAPOLBLRRK2STK4
SCHEMBL4520735 0.69 NOTUM (0.41) TDP1KDM4EALDH1A1LMNALRRK2
SCHEMBL8650234 0.68 L3MBTL1 (0.46) SLC9A5TDP1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL11786073 0.66 KMO (0.44) SLC9A5ALDH1A1LMNAPOLBLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 SLC9A5 499/4885TDP1 2569/4885KDM4E 2700/4885

“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.