SCHEMBL107129

SCHEMBL107129

O=C(Cl)c1cnc(Cl)cn1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.68
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NAPRT Q6XQN6 1/20 0.40
ALDH1A1 P00352 1/20 0.32
P4HA1 P13674 1/20 0.32
MIF P14174 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL30263065 1.00 SIRT6 (0.68) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL11421909 0.89 SIRT6 (0.52) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL27741418 0.85 SIRT6 (0.68) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL30159768 0.83 SIRT6 (0.72) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL287121 0.83 SIRT6 (0.72) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL2059001 0.81 SIRT6 (0.63) SIRT6JUNNFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL9310461 0.81 SIRT6 (0.69) SIRT6JUNNFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL30263277 0.81 SIRT6 (0.69) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL1432968 0.81 SIRT6 (1.00) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL6078516 0.81 SIRT6 (0.69) SIRT6JUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728210-B1 ISOXAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2026-02-11 EP disclosed
EP-4392419-B1 NOVEL PYRAZINYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2025-07-23 EP disclosed
US-12281116-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2025-04-22 US disclosed
CN-112041304-B Isoxazole N-linked carbamoyl cyclohexyl acids as LPA antagonists 百时美施贵宝公司 2025-03-07 CN disclosed
WO-2025022915-A1 METHOD FOR PRODUCING 2-ETHYLSULFONYL-1-HETEROARYLETHANONE COMPOUND 日本曹達株式会社 2025-01-30 WO disclosed
CN-112041316-B Isoxazole O-linked carbamoyl cyclohexyl acids as LPA antagonists 百时美施贵宝公司 2024-11-22 CN disclosed
US-20240368125-A1 NOVEL PYRAZINYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2024-11-07 US disclosed
EP-4433471-A1 N-(2H-INDAZOL-5-YL)PYRAZINE-2-CARBOXAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS HTT MODULATORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE CHDI Foundation, Inc. (US) 2024-09-25 EP disclosed
CN-118510769-A HTT modulators for the treatment of huntington's disease CHDI基金会股份有限公司 2024-08-16 CN disclosed
EP-4392419-A1 NOVEL PYRAZINYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2024-07-03 EP disclosed
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed
EP-1307444-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2003-05-07 EP disclosed
WO-2002010154-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2002-02-07 WO disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
US-5811428-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed
EP-0850228-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-07-01 EP disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5643912-A Pyrazinoic acid esters as anti-mycobacterium avium agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NY (US) 1997-07-01 US disclosed
WO-1997009315-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed
US-5364939-A Chlorinating hydroxy carboxylic acid with phosphorus pentachloride in phosphoroxy chloride LONZA LTD. (CH) 1994-11-15 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 (2 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-12281116-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 SIRT6 600/4885JUN 4044/4885NFKB1 3237/4885
US-20240368125-A1 NOVEL PYRAZINYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRDX1, PRDX5, PRXL2A SIRT6 2123/4885JUN 4289/4885NFKB1 3669/4885

“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.