SCHEMBL137583

SCHEMBL137583

N#CCC(=O)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.59
ALDH1A1 P00352 3/20 0.53
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
PLOD3 O60568 1/20 0.53
PLOD1 Q02809 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.50
HDAC1 Q13547 2/20 0.49

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
SCHEMBL9502043 0.84 PLOD2 (0.61) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL3932662 0.83 PLOD2 (0.56) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL6748690 0.82 PLOD2 (0.59) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL7075878 0.79 PLOD2 (0.69) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL29554726 0.79 PLOD2 (0.89) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL10320930 0.79 PLOD2 (0.89) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL23924461 0.78 PLOD2 (0.54) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL5635739 0.78 PLOD2 (0.54) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL5163281 0.77 HCAR2 (0.46) PLOD2GAAHCAR2KMT2AMAPT
SCHEMBL237747 0.77 ALDH1A1 (0.52) PLOD2ALDH1A1GAAPLOD3PLOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
US-12570659-B2 Bicyclic heteroaryl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2026-03-10 US disclosed
EP-4013758-B1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-12-24 EP disclosed
US-12486274-B2 Substituted pyrazolo-pyrimidines and uses thereof Verge Analytics, Inc. (US) 2025-12-02 US disclosed
WO-2025202955-A1 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2025-10-02 WO disclosed
CN-115209952-B Substituted pyrazolopyrimidines and use thereof 维基分析有限公司 2025-05-30 CN disclosed
US-12275739-B2 Inhibitors of menin-MLL interaction BIOMEA FUSION, INC. (US) 2025-04-15 US disclosed
EP-4201929-B1 QUINOXALINE THIOREDOXIN REDUCTASE INHIBITORS GENEXPLAIN GMBH (DE) 2024-08-14 EP disclosed
CN-114206874-B Bicyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-08-02 CN disclosed
US-20030096816-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002083667-A2 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-24 WO disclosed
US-6410533-B1 THERAPY FOR BACTERIA INFECTIONS GENZYME CORPORATION 2002-06-25 US disclosed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO disclosed
US-5128340-A Thiazole derivatives AKZO N.V. (NL) 1992-07-07 US disclosed
EP-0372470-A2 Novel alpha-cyano-beta-oxopropionamides CIBA-GEIGY AG (CH) 1990-06-13 EP disclosed
EP-0368384-A1 Thiazole derivatives AKZO N.V. (NL) 1990-05-16 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 (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-12275739-B2 Inhibitors of menin-MLL interaction MLLT1, MEN1, MLLT3 PLOD2 4502/4885ALDH1A1 4585/4885APP 4054/4885
US-12486274-B2 Substituted pyrazolo-pyrimidines and uses thereof PIKFYVE, PIP4K2B, PIP4K2C PLOD2 4659/4885ALDH1A1 4827/4885APP 2951/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR PLOD2 260/4885ALDH1A1 195/4885APP 760/4885
US-20030096816-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, MAPK1, MAP3K1 PLOD2 4575/4885ALDH1A1 4198/4885APP 1814/4885
US-12570659-B2 Bicyclic heteroaryl compounds useful as IRAK4 inhibitors IRAK4, IRAK1, IRAK3 PLOD2 4543/4885ALDH1A1 3865/4885APP 4755/4885
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 PLOD2 1928/4885ALDH1A1 211/4885APP 3505/4885

“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.