SCHEMBL3869201

SCHEMBL3869201

NCCCCCNC(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.70
HDAC2 Q92769 7/20 0.70
HDAC8 Q9BY41 6/20 0.70
HDAC6 Q9UBN7 6/20 0.70
HDAC3 O15379 6/20 0.70
HDAC4 P56524 5/20 0.70
HDAC7 Q8WUI4 5/20 0.70
HDAC10 Q969S8 5/20 0.70
HDAC11 Q96DB2 5/20 0.70
HDAC9 Q9UKV0 5/20 0.70
HDAC5 Q9UQL6 5/20 0.70
NAAA Q02083 1/20 0.70
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MAPK1 P28482 1/20 0.59
NCOR2 Q9Y618 1/20 0.58
NAMPT P43490 2/20 0.58
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL3863086 1.00 HDAC1 (0.70) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL4426060 1.00 HDAC1 (0.70) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL13709041 1.00 HDAC1 (0.70) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8366892 1.00 HDAC1 (0.70) HDAC1HDAC2HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL4326160 0.98 HDAC1 (0.68) HDAC1HDAC2HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL5969581 0.98 HDAC1 (0.68) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL5855204 0.98 HDAC1 (0.67) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1467538 0.93 NPC1 (0.66) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL15065078 0.92 GRIN1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL19874469 0.91 NPC1 (0.64) HDAC1HDAC2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100562511-C 2-aryl-acetic acids, their derivative and contain their pharmaceutical composition DOMPE SPA (IT) 2009-11-25 CN claimed
US-12227634-B2 Fiber sheet and method for producing same KAO CORPORATION (JP) 2025-02-18 US disclosed
CN-118348134-A Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI and VII 华盛顿大学商业中心 2024-07-16 CN disclosed
CN-112986429-B Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI and VII 华盛顿大学商业中心 2024-03-29 CN disclosed
US-20230203082-A1 REAGENTS AND METHODS FOR SCREENING MPS I, II, IIIA, IIIB, IVA, VI, AND VII UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2023-06-29 US disclosed
US-20230203082-A1 REAGENTS AND METHODS FOR SCREENING MPS I, II, IIIA, IIIB, IVA, VI, AND VII UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2023-06-29 US disclosed
US-20230203082-A1 REAGENTS AND METHODS FOR SCREENING MPS I, II, IIIA, IIIB, IVA, VI, AND VII UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2023-06-29 US disclosed
US-11618764-B2 Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI, and VII UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2023-04-04 US disclosed
EP-4019527-A1 REAGENTS AND METHODS FOR SCREENING MPS II University Of Washington Through Its Center For Commercialization (US) 2022-06-29 EP disclosed
EP-4019527-A1 REAGENTS AND METHODS FOR SCREENING MPS II University Of Washington Through Its Center For Commercialization (US) 2022-06-29 EP disclosed
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP disclosed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP disclosed
US-20040229897-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-11-18 US disclosed
US-6756382-B2 SECONDARY AMIDES SUCH AS N-(4-(4-AMINO-2-(2-METHOXYETHYL)-1H-IMIDAZO(4,5-C)QUINOLIN-1-YL)BUTYL)-1 -METHYL-5-OXO-2-PYRIDIN-3-YLPYRROLIDINE-3-CARBOXAMIDE; BIOSYNTHESIS OF CYTOKINES; PROPYLAXIS OF VIRAL DISEASES; IMMUNOLOGY MODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-06-29 US disclosed
US-20030144283-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-07-31 US disclosed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US disclosed
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP disclosed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP disclosed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO disclosed
EP-0339976-B1 Anti-tumour agents ICI PLC (GB) 1994-02-02 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 (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-20040229897-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 HDAC1 89/4885HDAC2 119/4885HDAC8 197/4885
US-11618764-B2 Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI, and VII GAA, MAN2B1, CLN6 HDAC1 3253/4885HDAC2 2810/4885HDAC8 2396/4885
US-20230203082-A1 REAGENTS AND METHODS FOR SCREENING MPS I, II, IIIA, IIIB, IVA, VI, AND VII GAA, MAN2B1, CLN6 HDAC1 3253/4885HDAC2 2810/4885HDAC8 2396/4885
US-20030144283-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 HDAC1 89/4885HDAC2 119/4885HDAC8 197/4885

“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.