SCHEMBL9689348

SCHEMBL9689348

CC(=O)CC(=O)Nc1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.79
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
CYP1A2 P05177 1/20 0.62
HSD17B10 Q99714 1/20 0.62
PKM P14618 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58

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
SCHEMBL6245092 0.89 GAA (1.00) GAANPC1RAB9ACYP1A2HSD17B10
SCHEMBL14207791 0.86 GAA (0.74) GAANPC1RAB9ACYP1A2HSD17B10
SCHEMBL2857964 0.84 GAA (0.76) GAANPC1RAB9ACYP1A2HSD17B10
SCHEMBL30071250 0.84 GAA (0.76) GAANPC1RAB9AHTTCYP1A2
SCHEMBL626827 0.84 GAA (0.76) GAANPC1RAB9AHTTCYP1A2
SCHEMBL12426307 0.84 GAA (0.82) GAANPC1RAB9ACYP1A2HSD17B10
SCHEMBL30444964 0.82 HDAC3 (0.76) GAANPC1RAB9AHTTCYP1A2
Bromide SCHEMBL11500766 0.82 GAA (0.73) GAANPC1RAB9AHTTCYP1A2
SCHEMBL8545451 0.82 GAA (0.79) GAANPC1RAB9ACYP1A2HSD17B10
Hydrochloric Acid SCHEMBL30225316 0.82 GAA (0.73) GAANPC1RAB9ACYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3992184-B1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SHENZHEN CELL INSPIRE PHARMACEUTICAL DEV CO LTD (CN) 2024-05-29 EP disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 WO disclosed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 WO disclosed
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
EP-0329357-B1 DIHYDROPYRIDINE ANTI-ALLERGIC AND ANTI-INFLAMMATORY AGENTS Pfizer Limited (GB) 1992-07-15 EP disclosed
US-4904671-A ANTIARTHRITIC AGENTS; PLATELET ACTIVATING FACTOR PFIZER INC. (US) 1990-02-27 US disclosed
EP-0330327-A2 Dihydropyridines, their preparation and their use as PAF-antagonists Pfizer Limited (GB) 1989-08-30 EP disclosed
EP-0329357-A1 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1989-08-23 EP disclosed
US-4859686-A Dihydropyridine anti-allergic and anti-inflammatory agents PFIZER INC. (US) 1989-08-22 US disclosed
US-4788205-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR PFIZER INC. (US) 1988-11-29 US disclosed
US-4491481-A Organic pigment compositions containing an azo compound with a heterocyclic substituent CIBA-GEIGY CORPORATION (US) 1985-01-01 US disclosed
EP-0066226-A1 Chromogenic development process for the formation of a magenta dye image, and colour photographic recording material suitable therefor Agfa-Gevaert AG (DE) 1982-12-08 EP 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-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR GAA 101/4885NPC1 3021/4885RAB9A 2719/4885

“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.