SCHEMBL3014663

SCHEMBL3014663

Clc1cc(NC2CCNCC2)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
ATAD2 Q6PL18 4/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
CYP19A1 P11511 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHEK1 O14757 3/20 0.40
KCNH2 Q12809 2/20 0.40
PRMT5 O14744 1/20 0.39
IKBKB O14920 1/20 0.37
CYP1A2 P05177 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CSF1R P07333 1/20 0.37
JAK1 P23458 1/20 0.36

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
SCHEMBL3814104 0.93 BRD4 (0.39) BRD4ATAD2ALDH1A1LMNAKDM4E
SCHEMBL3005194 0.90 ADORA1 (0.45) ALDH1A1LMNAKDM4EMEN1NPC1
SCHEMBL3007638 0.89 ADORA1 (0.46) ALDH1A1LMNAKDM4EMEN1NPC1
SCHEMBL3005392 0.87 NPC1 (0.41) BRD4ATAD2ALDH1A1LMNAKDM4E
SCHEMBL3009007 0.87 CSF1R (0.51) ALDH1A1LMNAKDM4EMEN1NPC1
SCHEMBL3005646 0.86 BRD4 (0.44) BRD4ATAD2ALDH1A1LMNACHEK1
SCHEMBL3007664 0.86 ALDH1A1 (0.40) BRD4ATAD2ALDH1A1LMNAKDM4E
SCHEMBL2999762 0.85 BRD4 (0.48) BRD4ATAD2ALDH1A1LMNACHEK1
SCHEMBL3009562 0.85 VCP (0.43) BRD4ATAD2ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL3415428 0.84 BRD4 (0.47) BRD4ATAD2ALDH1A1LMNACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP claimed
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS CATHOLIC UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-02-05 US claimed
CN-101784543-B Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2013-10-16 CN claimed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US claimed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US claimed
CN-101784543-A Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-07-21 CN claimed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP disclosed
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 US disclosed
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS CATHOLIC UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-02-05 US disclosed
CN-101784543-B Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2013-10-16 CN disclosed
US-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2013-09-12 US disclosed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US disclosed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US disclosed
CN-101784543-A Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-07-21 CN disclosed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 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 (3 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-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 BRD4 1492/4885ATAD2 2447/4885ALDH1A1 1971/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 BRD4 1492/4885ATAD2 2447/4885ALDH1A1 1971/4885
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS AQP1, EYA3, SF1 BRD4 4563/4885ATAD2 3256/4885ALDH1A1 627/4885

“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.