SCHEMBL237747

SCHEMBL237747

N#CCC(=O)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C19 P33261 3/20 0.52
PLOD2 O00469 2/20 0.52
PLOD3 O60568 2/20 0.52
PLOD1 Q02809 2/20 0.52
CYP2C9 P11712 2/20 0.52
HPGD P15428 2/20 0.52
HIF1A Q16665 1/20 0.52
NAPRT Q6XQN6 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MPO P05164 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2A6 P11509 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL28568410 0.89 HDAC1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL395103 0.84 GSK3B (0.48) ALDH1A1CYP3A4HPGDKDM4EL3MBTL1
SCHEMBL11088722 0.80 CYP1A2 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL136826 0.78 CES1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22313390 0.78 CES1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL137583 0.77 PLOD2 (0.59) ALDH1A1PLOD2PLOD3PLOD1HIF1A
SCHEMBL11770219 0.77 CYP19A1 (0.57) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL6752860 0.77 CES1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14918493 0.77 TSHR (0.52) ALDH1A1NAPRTSMN1; SMN2
Fluoride SCHEMBL28163020 0.77 CES1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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 124 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-12404265-B2 Substituted pyridine derivatives as SARM1 inhibitors NURA BIO, INC. (US) 2025-09-02 US disclosed
US-12275739-B2 Inhibitors of menin-MLL interaction BIOMEA FUSION, INC. (US) 2025-04-15 US disclosed
US-20240277683-A1 COMPOUNDS CTXT PTY LTD (AU) 2024-08-22 US disclosed
EP-4201929-B1 QUINOXALINE THIOREDOXIN REDUCTASE INHIBITORS GENEXPLAIN GMBH (DE) 2024-08-14 EP disclosed
US-20240140953-A1 INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. 2024-05-02 US disclosed
US-11970481-B1 Substituted pyridine derivatives as SARM1 inhibitors NURA BIO, INC. (US) 2024-04-30 US disclosed
US-20240116901-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS NURA BIO, INC. 2024-04-11 US disclosed
US-11911372-B2 Compounds CTXT PTY LTD (AU) 2024-02-27 US disclosed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN disclosed
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 disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 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 (8 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-12404265-B2 Substituted pyridine derivatives as SARM1 inhibitors SARM1, SARNP, ADRM1 ALDH1A1 3991/4885CYP1A2 3978/4885CYP3A4 4171/4885
US-12275739-B2 Inhibitors of menin-MLL interaction MLLT1, MEN1, MLLT3 ALDH1A1 4585/4885CYP1A2 4624/4885CYP3A4 4509/4885
US-20240277683-A1 COMPOUNDS SLC10A1, ABCB11, REN ALDH1A1 951/4885CYP1A2 153/4885CYP3A4 80/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR ALDH1A1 195/4885CYP1A2 27/4885CYP3A4 29/4885
US-11970481-B1 Substituted pyridine derivatives as SARM1 inhibitors SARM1, SARNP, ADRM1 ALDH1A1 3991/4885CYP1A2 3978/4885CYP3A4 4171/4885
US-20240116901-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS SARM1, SARNP, ADRM1 ALDH1A1 3991/4885CYP1A2 3978/4885CYP3A4 4171/4885
US-20240140953-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ALDH1A1 4585/4885CYP1A2 4624/4885CYP3A4 4509/4885
US-11911372-B2 Compounds SLC10A1, ABCB11, REN ALDH1A1 744/4885CYP1A2 157/4885CYP3A4 81/4885

“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.