SCHEMBL17818705

SCHEMBL17818705

NC(=O)Cn1cc(C(=O)O)c2c(Cl)ccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAP2K1 Q02750 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
IDO1 P14902 1/20 0.33
NTRK1 P04629 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
PABPC1 P11940 1/20 0.33
ADRA1D P25100 1/20 0.32
ALKBH1 Q13686 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL17818874 0.78 CNR1 (0.47) KDM4CP2RX7
SCHEMBL21134601 0.76 P2RX7 (0.53) P2RX7
SCHEMBL22554085 0.76 KDM4C (0.40) KDM4EKDM5AKDM4CPTGDR2LMNA
SCHEMBL31277771 0.76 KDM5A (0.38) KDM4EKDM5AKDM4CPTGDR2LMNA
SCHEMBL4529820 0.75 P2RX7 (0.42) P2RX7
SCHEMBL17834182 0.74 IL1B (0.58) P2RX7
SCHEMBL20995297 0.73 IL1B (0.30) P2RX7
SCHEMBL17818946 0.73 IL1B (0.45) NTRK1P2RX7
SCHEMBL17818776 0.73 KDM4C (0.47) KDM4EKDM4CP2RX7
SCHEMBL3690474 0.72 LMNA (0.41) KDM4EKDM5AKDM4CLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207476-B Indole and azaindole derivatives and their use in neurodegenerative diseases 默克专利有限公司 2021-03-19 CN disclosed
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
EP-3233841-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-10-25 EP disclosed
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 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 (4 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 KDM4E 2549/4885KDM5A 2344/4885KDM4C 3071/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 KDM4E 2136/4885KDM5A 1835/4885KDM4C 2845/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 KDM4E 2549/4885KDM5A 2344/4885KDM4C 3071/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 KDM4E 2136/4885KDM5A 1835/4885KDM4C 2845/4885

“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.