SCHEMBL329619

SCHEMBL329619

Nc1cccc2c1CNC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.68
PNMT P11086 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.37
PARP1 P09874 1/20 0.36
PRCP P42785 1/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL29805405 1.00 CD44 (0.68) CD44PNMTALDH1A1HPGDKDM4E
SCHEMBL329571 0.81 CD44 (1.00) CD44PNMTMAOBPARP1PRCP
SCHEMBL29771844 0.81 CD44 (1.00) CD44PNMTMAOBPARP1PRCP
SCHEMBL3659651 0.81 CD44 (0.72) CD44PNMTMAOBPRCP
SCHEMBL30156803 0.81 CD44 (0.72) CD44PNMTMAOBPRCP
Tert-Butyl Formate SCHEMBL28294146 0.80 CD44 (0.47) CD44TDP1
Hydrochloric Acid SCHEMBL4516826 0.79 CD44 (0.70) CD44PNMTMAOBPRCP
Hydrochloric Acid SCHEMBL4520528 0.79 CD44 (0.96) CD44PNMTMAOBPARP1PRCP
Hydrochloric Acid SCHEMBL4506036 0.79 CD44 (0.96) CD44PNMTMAOBPARP1PRCP
SCHEMBL11327051 0.78 CD44 (0.62) CD44PNMTMAOBPARP1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636815-B Preparation method and application of pomalidomide connected urea compound 新乡学院 2023-10-27 CN claimed
CN-115636815-A Preparation method and application of novel pomalidomide-linked urea compound 新乡学院 2023-01-24 CN claimed
CN-115626916-A Pomalidomide derivative and preparation method and application thereof 河南科技大学第一附属医院 2023-01-20 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-12263156-B2 Use of small molecule inhibitors of the BfrB:Bfd interaction in biofilms BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2025-04-01 US disclosed
WO-2023246944-A1 SUBSTITUTED 4-AMINOISOINDOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 中国科学院上海药物研究所 2023-12-28 WO disclosed
WO-2023246944-A1 SUBSTITUTED 4-AMINOISOINDOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 中国科学院上海药物研究所 2023-12-28 WO disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
CN-115697993-A Pyrimidines as AXL inhibitors 南京正大天晴制药有限公司 2023-02-03 CN disclosed
CN-115636815-A Preparation method and application of novel pomalidomide-linked urea compound 新乡学院 2023-01-24 CN disclosed
CN-115626916-A Pomalidomide derivative and preparation method and application thereof 河南科技大学第一附属医院 2023-01-20 CN disclosed
WO-2022199589-A1 PYRIMIDINE DERIVATIVES 南京明德新药研发有限公司 2022-09-29 WO disclosed
EP-1592684-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 US disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 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 (3 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-12263156-B2 Use of small molecule inhibitors of the BfrB:Bfd interaction in biofilms BLVRB, Q6ZSR9, BTD CD44 2953/4885PNMT 2669/4885ALDH1A1 2628/4885
US-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP CD44 4872/4885PNMT 965/4885ALDH1A1 887/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 CD44 3212/4885PNMT 1030/4885ALDH1A1 1817/4885

“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.