SCHEMBL1690706

SCHEMBL1690706

NNCC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
POLB P06746 1/20 0.49
PLAU P00749 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48

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
Hydrochloric Acid SCHEMBL1198106 0.98 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL7695939 0.85 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL62534 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL10722003 0.83 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL8053510 0.83 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL4935091 0.83 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL27368126 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL6854023 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL294341 0.82 ALDH1A1 (0.73) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
SCHEMBL1687346 0.81 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1KMT2AMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217928-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-07-04 US disclosed
WO-2023006645-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-02-02 WO disclosed
WO-2021104120-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed
EP-2389356-B1 NOVEL AZAPEPTIDE OR AZAPEPTIDOMIMETIC COMPOUNDS INHIBITING BCRP AND/OR P-GP UNIV CLAUDE BERNARD LYON (FR) 2013-10-23 EP disclosed
US-20120010161-A1 NOVEL AZAPEPTIDE OR AZAPEPTIDOMIMETIC COMPOUNDS INHIBITING BCRP AND/OR P-GP CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-01-12 US disclosed
US-20120010161-A1 NOVEL AZAPEPTIDE OR AZAPEPTIDOMIMETIC COMPOUNDS INHIBITING BCRP AND/OR P-GP CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-01-12 US disclosed
US-20120010161-A1 NOVEL AZAPEPTIDE OR AZAPEPTIDOMIMETIC COMPOUNDS INHIBITING BCRP AND/OR P-GP CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-01-12 US disclosed
EP-1572630-A1 ANTIBACTERIAL AGENTS Vernalis (Oxford) Ltd (GB) 2005-09-14 EP disclosed
WO-2004056751-A1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-07-08 WO disclosed
EP-0342423-A2 Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1989-11-23 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 (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-20120010161-A1 NOVEL AZAPEPTIDE OR AZAPEPTIDOMIMETIC COMPOUNDS INHIBITING BCRP AND/OR P-GP ABCB1, ABCB11, ABCC1 ALDH1A1 2049/4885L3MBTL1 3744/4885MAPK1 2470/4885
US-20240217928-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS NHERF1, ENPP1, ATP6AP1 ALDH1A1 375/4885L3MBTL1 3591/4885MAPK1 3220/4885

“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.