SCHEMBL888775

SCHEMBL888775

CC(C)C(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
APP P05067 1/20 0.59
GAA P10253 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
SARM1 Q6SZW1 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57
SIRT4 Q9Y6E7 1/20 0.57
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL29993557 1.00 ALDH1A1 (0.59) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL14490189 0.86 ALDH1A1 (0.57) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL16313508 0.85 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL20966338 0.85 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL2585322 0.85 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL28782680 0.85 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL18204967 0.85 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL11809017 0.85 F7 (0.58) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL27754943 0.85 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2
Bromide SCHEMBL3428970 0.83 ALDH1A1 (0.53) ALDH1A1APPGAAHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053426-B2 Process for the synthesis of metyrapone and alkylated metyrapone analogs ALBEMARLE CORPORATION (US) 2018-08-21 US claimed
US-20240228500-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. 2024-07-11 US disclosed
US-20240228500-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. 2024-07-11 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 US disclosed
WO-2023168329-A2 NOVEL PRODRUGS DERIVED FROM NICOTINIC ACID AND RIBOSE MITOPOWER, INC. (US) 2023-09-07 WO disclosed
US-20230279035-A1 Novel Prodrugs Derived from Nicotinic Acid and Ribose MITOPOWER, INC. 2023-09-07 US disclosed
US-5073561-A N-substituted-pyridinyl oximes WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
EP-0435127-A2 3-Substituted pyridines BASF Aktiengesellschaft (DE) 1991-07-03 EP disclosed
US-4929734-A ANTIINFLAMMATORY AGENTS, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 US disclosed
US-4798841-A COGNITION ACTIVATORS, ANALGESICS WARNER-LAMBERT COMPANY (US) 1989-01-17 US disclosed
EP-0291673-A1 Tetrahydropyridine oximes, a process for their preparation and use thereof as cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-23 EP disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed
US-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 US disclosed
US-4618725-A REACTING THE CORRESPONDING UNSUBSTITUTED KETONE WITH METHANOL IN THE PRESENCE OF MAGNESIUM OXIDE CATALYST BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
US-4128651-A Bis-quaternary pyridinium-2-aldoxime salts and a process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-12-05 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 (6 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-20240228500-A1 THERAPEUTIC CONJUGATES CD47, CD44, EPCAM ALDH1A1 1307/4885APP 3612/4885GAA 348/4885
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS ALDH1A1 3377/4885APP 4064/4885GAA 3675/4885
US-20230279035-A1 Novel Prodrugs Derived from Nicotinic Acid and Ribose NME4, NADK, NAMPT ALDH1A1 875/4885APP 1478/4885GAA 829/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS ALDH1A1 1238/4885APP 3721/4885GAA 31/4885
US-10053426-B2 Process for the synthesis of metyrapone and alkylated metyrapone analogs MET, ABL1, CMPK1 ALDH1A1 872/4885APP 3840/4885GAA 4147/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 ALDH1A1 4542/4885APP 1164/4885GAA 1061/4885

“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.