SCHEMBL6168887

SCHEMBL6168887

COC(=O)c1cc(N)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.66
ALDH1A1 P00352 7/20 0.66
KDM4E B2RXH2 6/20 0.66
MAPT P10636 5/20 0.66
HSD17B10 Q99714 3/20 0.66
HPGD P15428 3/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66
CFTR P13569 3/20 0.60
POLB P06746 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
THRB P10828 1/20 0.57
PKM P14618 1/20 0.57
APEX1 P27695 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
MCL1 Q07820 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL1403643 0.86 GAA (0.72) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL9705197 0.84 GAA (0.65) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL7623605 0.84 GAA (0.70) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL7529190 0.84 KDM4E (0.66) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2926607 0.84 GAA (0.70) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL29400478 0.84 GAA (0.70) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL9574892 0.83 MAPT (0.56) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1026723 0.83 BRAF (0.56) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL268601 0.82 CA12 (0.67) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1321845 0.82 GAA (0.62) GAAALDH1A1KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250312362-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-10-09 US disclosed
EP-4525851-A1 INHIBITORS OF MSBA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-03-26 EP disclosed
WO-2023224892-A1 INHIBITORS OF MSBA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-11-23 WO disclosed
EP-1296540-B1 DISPLAY TORAY INDUSTRIES (JP) 2019-10-16 EP disclosed
EP-1595870-B1 PROCESS FOR PRODUCING PHENYLALANINE DERIVATIVE HAVING QUINAZOLINEDIONE SKELETON AND INTERMEDIATE FOR THE SAME AJINOMOTO KK (JP) 2015-09-23 EP disclosed
US-6887643-B2 Photosensitive resin precursor composition TORAY INDUSTRIES, INC. (JP) 2005-05-03 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
US-20040053156-A1 Photosensitive resin precursor composition TORAY INDUSTRIES, INC. (JP) 2004-03-18 US disclosed
US-6696112-B2 POSITIVE-TYPE, PHOTOSENSITIVITY; FLAT PANEL DISPLAYS TORAY INDUSTRIES, INC. (JP) 2004-02-24 US disclosed
EP-1388758-A1 Photosensitive heat resistant resin precursor composition TORAY INDUSTRIES, INC. (JP) 2004-02-11 EP disclosed
WO-1998053361-A2 POLARIZABLE AMINES AND POLYIMIDES FOR OPTICAL ALIGNMENT OF LIQUID CRYSTALS ALLIANT TECHSYSTEMS INC. (US) 1998-11-26 WO disclosed
US-5493011-A PIGMENTING HIGH MOLECULAR WEIGHT NATURAL OR SYNTHETIC ORGANIC MATERIALS HOECHST AG (DE) 1996-02-20 US disclosed
US-4081439-A Aromatic disazo pigments CIBA-GEIGY CORPORATION (US) 1978-03-28 US disclosed
US-4070353-A FOR PLASTICS AND PRINTING INKS, YELLOW TO ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1978-01-24 US disclosed
US-4065449-A Tetrachloro substituted disazo pigments CIBA-GEIGY CORPORATION (US) 1977-12-27 US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed
US-4053464-A DISAZO PIGMENTS CONTAINING ETHER SUBSTITUTED ALKOXY CARBONYL GROUPS CIBA-GEIGY CORPORATION (US) 1977-10-11 US disclosed
US-3988312-A TETRAKISAZO DYES CIBA-GEIGY CORPORATION (US) 1976-10-26 US disclosed
US-3978038-A POLYAMIDES, POLYESTERS, POLYURETHANES CIBA-GEIGY CORPORATION (US) 1976-08-31 US disclosed
US-3953496-A ANTIPYRETICS, ANTI-ALLERGIC, ANTI-INFLAMMATORY AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-04-27 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 (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-20250312362-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MSRB3, ABCC1, MRPS34 GAA 1230/4885ALDH1A1 4233/4885KDM4E 2123/4885

“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.