SCHEMBL3636288

SCHEMBL3636288

CN(C)C(=O)c1c[nH]nn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4A O75164 1/20 0.32
NQO2 P16083 1/20 0.31
MALT1 Q9UDY8 1/20 0.30
KDM5A P29375 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL19101154 0.82 MLYCD (0.35) RAB9A
SCHEMBL7784055 0.79 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2KDM4ARAB9A
SCHEMBL22372230 0.76 SCN9A (0.36)
Hydrogen Sulfide SCHEMBL11219494 0.73
SCHEMBL2210189 0.72
SCHEMBL9426831 0.71
SCHEMBL28905564 0.71
SCHEMBL30149273 0.71 KDM4E (0.36) ALDH1A1KDM4AKDM5A
SCHEMBL30522334 0.71
Ammonia Solution, Strong SCHEMBL28124824 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198309-B2 N-(2-(hetaryl)aryl) arylsulfonamides and N-(2-(hetaryl)hetaryl arylsulfonamides CHEMOCENTRYX, INC. (US) 2012-06-12 US claimed
US-4281007-A A CLAY AND AN ALIPHATIC POLYOL GULF OIL CORPORATION (US) 1981-07-28 US claimed
US-20250129063-A1 BENZOTHIAZOLE COMPOUNDS AS VHL LIGANDS GENENTECH, INC. (US) 2025-04-24 US disclosed
EP-4522270-A1 BENZOTHIAZOLE COMPOUNDS AS VHL LIGANDS Genentech Inc. (US) 2025-03-19 EP disclosed
WO-2023220237-A1 BENZOTHIAZOLE COMPOUNDS AS VHL LIGANDS GENENTECH, INC. (US) 2023-11-16 WO disclosed
US-20230098016-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-03-30 US disclosed
CN-109734674-B Aniline WDR5 protein-protein interaction inhibitor and preparation method and application thereof 中国药科大学 2022-08-26 CN disclosed
US-20220152027-A1 ANILINE-BASED WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, AND PREPARATION METHOD AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2022-05-19 US disclosed
EP-3932910-A1 ANILINE WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF China Pharmaceutical University (CN) 2022-01-05 EP disclosed
US-20210139466-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION CHINA PHARMACEUTICAL UNIVERSITY (CN) 2021-05-13 US disclosed
CN-112368268-A Phenyl-bis-triazole MLL1-WDR5 protein-protein interaction inhibitor 中国药科大学 2021-02-12 CN disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-4281007-A A CLAY AND AN ALIPHATIC POLYOL GULF OIL CORPORATION (US) 1981-07-28 US disclosed
US-4281007-A A CLAY AND AN ALIPHATIC POLYOL GULF OIL CORPORATION (US) 1981-07-28 US disclosed
US-4281007-A A CLAY AND AN ALIPHATIC POLYOL GULF OIL CORPORATION (US) 1981-07-28 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 (7 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R ALDH1A1 185/4885HPGD 80/4885SMN1; SMN2 3713/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 111/4885HPGD 39/4885SMN1; SMN2 3490/4885
US-20210139466-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION WDR5, MLLT1, WDR1 ALDH1A1 3515/4885HPGD 4068/4885SMN1; SMN2 2957/4885
US-20230098016-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION WDR5, MLLT1, WDR1 ALDH1A1 3515/4885HPGD 4068/4885SMN1; SMN2 2957/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 ALDH1A1 248/4885HPGD 1996/4885SMN1; SMN2 3660/4885
US-20250129063-A1 BENZOTHIAZOLE COMPOUNDS AS VHL LIGANDS VHL, BRCA1, GLS ALDH1A1 2210/4885HPGD 2074/4885SMN1; SMN2 1771/4885
US-20220152027-A1 ANILINE-BASED WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, AND PREPARATION METHOD AND USE THEREOF MLLT1, WDR77, MLLT3 ALDH1A1 2270/4885HPGD 4112/4885SMN1; SMN2 2626/4885

“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.