SCHEMBL16319100

SCHEMBL16319100

COC(=O)c1cnc(Cl)c(OCC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
PELP1 Q8IZL8 1/20 0.44
XDH P47989 2/20 0.40
SCN9A Q15858 2/20 0.40
MAPK1 P28482 4/20 0.40
ATM Q13315 1/20 0.40
PTGER1 P34995 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SCN5A Q14524 1/20 0.37

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
SCHEMBL2712977 0.84 MAPK1 (0.49) MAPK1ATMALDH1A1
SCHEMBL978405 0.82 MAPK1 (0.41) XDHMAPK1ATMALDH1A1KDM4E
SCHEMBL8886246 0.82 XDH (0.44) ARPELP1XDHMAPK1ATM
SCHEMBL978445 0.82 MAPT (0.46) MAPK1ATMALDH1A1KDM4EL3MBTL1
SCHEMBL13326243 0.80 MAPK1 (0.45) XDHMAPK1ATMALDH1A1KDM4E
SCHEMBL16319378 0.77 HPGD (0.56) PTGER1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL31285153 0.77 KDM4E (0.41) MAPK1ATMALDH1A1KDM4EL3MBTL1
SCHEMBL2804058 0.77 EPHX2 (0.44) SCN9AMAPK1ATMSCN5A
SCHEMBL8875124 0.76 XDH (0.47) ARPELP1XDHMAPK1HIF1A
SCHEMBL31322831 0.76 MRGPRX4 (0.41) MAPK1ALDH1A1POLBMAPT

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-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 AR 75/4885PELP1 2608/4885XDH 2200/4885

“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.