SCHEMBL5577604

SCHEMBL5577604

C=CCNCc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
RAB9A P51151 1/20 0.56
CHRM2 P08172 1/20 0.56
PKM P14618 2/20 0.50
KDM4E B2RXH2 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HTT P42858 1/20 0.46
APLNR P35414 1/20 0.46

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
SCHEMBL17291833 0.84 DPP7 (0.44) ALDH1A1RAB9ACHRM2KDM4EDPP7
SCHEMBL13889990 0.83 RAB9A (0.58) ALDH1A1TP53RAB9ACHRM2PKM
SCHEMBL28674603 0.82 POLB (0.51) ALDH1A1SMN1; SMN2TP53RAB9APOLB
SCHEMBL18574031 0.82 CHRM2 (0.62) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL121529 0.82 CHRM2 (0.70) ALDH1A1SMN1; SMN2CHRM2PKMKDM4E
SCHEMBL21723340 0.81 RAB9A (0.39) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL9479560 0.80 CHRM2 (0.68) ALDH1A1SMN1; SMN2RAB9ACHRM2PKM
Hydrochloric Acid SCHEMBL2147064 0.80 CHRM2 (0.68) ALDH1A1SMN1; SMN2RAB9ACHRM2PKM
SCHEMBL25175588 0.80 CHRM2 (0.60) ALDH1A1SMN1; SMN2CHRM2KDM4EHDAC3
SCHEMBL31114280 0.80 CHRM2 (0.60) ALDH1A1SMN1; SMN2CHRM2KDM4EHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12465590-B2 Oxalamido-substituted tricyclic inhibitors of hepatitis b virus OSPEDALE SAN RAFFAELE S.R.L. (IT) 2025-11-11 US disclosed
WO-2025081019-A1 KIF MODULATOR COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2025-04-17 WO disclosed
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
CN-117843571-A Delta-lactam compound based on naphthalene skeleton and synthesis method and application thereof 天津师范大学 2024-04-09 CN disclosed
EP-4261830-A1 NOVEL PEPTIDOMIMETIC COMPOUND AND DESIGN Oita University Institute of Advanced Medicine, Inc. (JP) 2023-10-18 EP disclosed
US-20230322671-A1 PYRROLINONE COMPOUND AND METHOD FOR PREPARING THE SAME WUHAN JIANMIN DAPENG PHARMACEUTICAL CO., LTD. (CN) 2023-10-12 US disclosed
CN-116615423-A Novel peptidomimetic compounds and design 株式会社大分大学先端医学研究所 2023-08-18 CN disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-20220241241-A1 OXALAMIDO-SUBSTITUTED TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS ISTITUTO NAZIONALE DI GENETICA MOLECOLARE - INGM (IT) 2022-08-04 US disclosed
WO-2022124341-A1 NOVEL PEPTIDOMIMETIC COMPOUND AND DESIGN 株式会社大分大学先端医学研究所 2022-06-16 WO disclosed
US-8940919-B2 Compound, method for producing the same, and method for producing oseltamivir phosphate MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-01-27 US disclosed
US-20140046087-A1 Compound, Method for Producing the Same, and Method for Producing Oseltamivir Phosphate MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2014-02-13 US disclosed
US-20140046087-A1 Compound, Method for Producing the Same, and Method for Producing Oseltamivir Phosphate MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2014-02-13 US disclosed
EP-2684866-A1 COMPOUND AND METHOD FOR PRODUCING SAME, AS WELL AS METHOD FOR PRODUCING OSELTAMIVIR PHOSPHATE Microbial Chemistry Research Foundation (JP) 2014-01-15 EP disclosed
US-20130217874-A1 METHOD FOR MAKING MACROCYCLES RIGEL PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130217874-A1 METHOD FOR MAKING MACROCYCLES RIGEL PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
WO-2012061408-A2 METHOD FOR MAKING MACROCYCLES RIGEL PHARMACEUTICALS. INC. (US) 2012-05-10 WO disclosed
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2010-05-13 US disclosed
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2010-05-13 US disclosed
WO-2008070733-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2008-06-12 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 (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-12465590-B2 Oxalamido-substituted tricyclic inhibitors of hepatitis b virus OAT, SLC10A1, OTC ALDH1A1 1116/4885SMN1; SMN2 4849/4885TP53 792/4885
US-20140046087-A1 Compound, Method for Producing the Same, and Method for Producing Oseltamivir Phosphate CYP2F1, CYP3A4, CYP2E1 ALDH1A1 287/4885SMN1; SMN2 3628/4885TP53 2288/4885
US-20130217874-A1 METHOD FOR MAKING MACROCYCLES EZR, SQLE, CBR3 ALDH1A1 1812/4885SMN1; SMN2 2914/4885TP53 4117/4885
US-20230322671-A1 PYRROLINONE COMPOUND AND METHOD FOR PREPARING THE SAME C1S, C5, SULT1A1 ALDH1A1 706/4885SMN1; SMN2 2797/4885TP53 4001/4885
US-20220241241-A1 OXALAMIDO-SUBSTITUTED TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OAT, OTC, SLC10A1 ALDH1A1 1766/4885SMN1; SMN2 4870/4885TP53 492/4885
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PEPD ALDH1A1 2640/4885SMN1; SMN2 4040/4885TP53 1892/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885SMN1; SMN2 1807/4885TP53 32/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885SMN1; SMN2 1807/4885TP53 32/4885

“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.