SCHEMBL988532

SCHEMBL988532

O=C(O)c1cc(Cl)cc2cc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.56
▸ IKBKB O14920 5/20 0.51
▸ CHUK O15111 4/20 0.51
▸ AURKA O14965 1/20 0.48
▸ TPX2 Q9ULW0 1/20 0.48
▸ DYRK1A Q13627 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ F7 P08709 2/20 0.41

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
SCHEMBL4686922 0.82 IKBKB (0.76) KEAP1IKBKBCHUKAURKATPX2
SCHEMBL28617336 0.82 IKBKB (0.44) KEAP1IKBKBCHUKAURKATPX2
SCHEMBL20541577 0.80 CHEK1 (0.50) IKBKBCHUKGRM5NR4A2
SCHEMBL5190109 0.80 IKBKB (0.47) KEAP1IKBKBCHUKAURKATPX2
SCHEMBL29696573 0.80 KEAP1 (0.58) KEAP1IKBKBCHUKAURKATPX2
SCHEMBL17802186 0.80 KEAP1 (0.58) KEAP1IKBKBCHUKAURKATPX2
SCHEMBL5187370 0.80 KEAP1 (0.58) KEAP1IKBKBCHUKALDH1A1XDH
SCHEMBL13983382 0.79 AURKA (0.49) KEAP1AURKATPX2DYRK1AALDH1A1
SCHEMBL552639 0.79 KEAP1 (0.56) KEAP1IKBKBCHUKALDH1A1XDH
SCHEMBL987784 0.79 KEAP1 (0.56) KEAP1IKBKBCHUKAURKATPX2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101379034-B Benzamide and heteroarene derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2011-12-28 — — CN claimed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 — — CN claimed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 — — US claimed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 — — US claimed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 — — CN claimed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 — — EP claimed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — US claimed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — WO claimed
US-20240109915-A1 NOVEL ACC INHIBITORS PFIZER INC. (US) 2024-04-04 — — US disclosed
US-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-18 — — US disclosed
EP-3889134-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-10-06 — — EP disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 — — US disclosed
WO-2019051396-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-03-14 — — WO disclosed
EP-2565191-B1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy ASTELLAS PHARMA INC (JP) 2014-10-08 — — EP disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 — — WO disclosed
US-20070185113-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 — — US disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 — — CN disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 — — EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — 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 (5 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP KEAP1 2635/4885IKBKB 1146/4885CHUK 1341/4885
US-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use CCR8, RPS8, HDHD5 KEAP1 1811/4885IKBKB 3112/4885CHUK 2963/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 KEAP1 1811/4885IKBKB 3112/4885CHUK 2963/4885
US-20240109915-A1 NOVEL ACC INHIBITORS CBR3, NAT1, ACACB KEAP1 996/4885IKBKB 992/4885CHUK 316/4885
US-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 KEAP1 3204/4885IKBKB 1302/4885CHUK 1212/4885

“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.

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