SCHEMBL101621

SCHEMBL101621

CC(=O)NCc1ccc(B(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
TRPV1 Q8NER1 7/20 0.55
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
CSK P41240 1/20 0.47
VHL P40337 1/20 0.45

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
SCHEMBL12133623 0.85 KMT2A (0.76) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL1694501 0.82 TRPV1 (0.61) TRPV1LPLLIPGCSK
SCHEMBL6609140 0.81 TSHR (0.56) TRPV1ALDH1A1LPLLIPG
SCHEMBL2315033 0.81 KDM4E (0.66) TRPV1ALDH1A1MAPTLPLLIPG
SCHEMBL13920425 0.81 TRPV1 (0.55) KMT2ATRPV1LPLLIPGCSK
SCHEMBL14830589 0.80 TRPV1 (0.53) KMT2AHDAC1HDAC6TRPV1ALDH1A1
SCHEMBL955708 0.79 ENPP2 (0.53) KMT2AHDAC1HDAC6LPLLIPG
SCHEMBL3612554 0.78 KMT2A (0.66) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL1951513 0.78 KMT2A (0.66) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL3612557 0.78 KMT2A (0.66) KMT2AHDAC1HDAC6TRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4463456-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BeiGene, Ltd. (KY) 2024-11-20 EP disclosed
CN-118510778-A Thiazolopyridylamide derivatives as inhibitors of DNA polymerase θ 百济神州有限公司 2024-08-16 CN disclosed
CN-114222744-B Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFNα response 百时美施贵宝公司 2024-06-25 CN disclosed
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 WO disclosed
US-20230181462-A1 Dynamic Covalent Hydrogels, Precursors Thereof and Uses Thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-06-15 US disclosed
US-20230183242-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2023-06-15 US disclosed
EP-4118136-A1 DYNAMIC COVALENT HYDROGELS, PRECURSORS THEREOF AND USES THEREOF Centre National de la Recherche Scientifique (CNRS) (FR) 2023-01-18 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-109563103-B Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2022-05-27 CN disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
EP-1994004-A2 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2008-11-26 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 WO 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 (4 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-20230183242-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, JAK3, IFNAR1 KMT2A 1244/4885HDAC1 872/4885HDAC6 723/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885HDAC1 2989/4885HDAC6 1621/4885
US-20230181462-A1 Dynamic Covalent Hydrogels, Precursors Thereof and Uses Thereof CDC37, ILK, PTMS KMT2A 2860/4885HDAC1 1629/4885HDAC6 142/4885
US-20080103123-A1 New compounds GPR119, GPR139, GPR180 KMT2A 4721/4885HDAC1 2847/4885HDAC6 2697/4885

“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.