SCHEMBL17311005

SCHEMBL17311005

O=C(OC(=O)c1c(Cl)ccc2nc(Cl)ccc12)c1c(Cl)ccc2nc(Cl)ccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 4/20 0.36
DPP4 P27487 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G2A P14555 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.34
P2RX7 Q99572 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL492057 0.84 DPP4 (0.47) KDM4ECRHBPCRHR2ALDH1A1KMT2A
SCHEMBL17311004 0.84 DPP4 (0.47) KDM4ECRHBPCRHR2ALDH1A1KMT2A
SCHEMBL25487589 0.73 PLA2G2A (0.49) KDM4EALDH1A1KMT2AMAPTHSD17B10
SCHEMBL12701351 0.71 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AHTTL3MBTL1
SCHEMBL4958880 0.70 CYP2A6 (0.48) KDM4EALDH1A1KMT2AMAPTHSD17B10
SCHEMBL3837660 0.68 P2RX7 (0.48) KDM4EALDH1A1KMT2AMAPTDPP4
SCHEMBL5128732 0.68 HIF1A (0.53) P2RX7
SCHEMBL3837501 0.67 CRHBP (0.39) KDM4ECRHBPCRHR2HTTLMNA
SCHEMBL2011498 0.67 CRHBP (0.39) KDM4ECRHBPCRHR2LMNA
SCHEMBL3837662 0.67 ACHE (0.40) KDM4ECRHBPCRHR2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152192-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-04-12 EP disclosed
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-9399623-B2 Quinoline derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2016-07-26 US disclosed
US-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 US disclosed
WO-2015187905-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 WO 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-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 KDM4E 3088/4885CRHBP 3252/4885CRHR2 2998/4885
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 KDM4E 3088/4885CRHBP 3252/4885CRHR2 2998/4885

“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.