SCHEMBL842631

SCHEMBL842631

Cc1cccc(C(=O)NCCO)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ ATM Q13315 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ POLB P06746 2/20 0.56
▸ KCNK3 O14649 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ KCNK9 Q9NPC2 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.53

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
SCHEMBL15834056 0.91 MEN1 (0.63) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL14679386 0.90 NPC1 (0.64) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL7055005 0.89 NPC1 (0.62) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL3319225 0.87 SMN1; SMN2 (0.65) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL1753828 0.86 L3MBTL1 (0.71) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL9492626 0.86 NPC1 (0.68) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL10605827 0.86 HDAC8 (0.65) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL11234425 0.85 RAB9A (0.66) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL12678025 0.85 NPC1 (0.66) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL14538231 0.85 NPC1 (0.66) NPC1RAB9AMEN1KMT2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024226892-A1 HYDRAZONE 3H-IMIDAZO(4,5-B)PYRIDINE COMPOUNDS AND USES THEREOF Verge Analytics, Inc. (US) 2024-10-31 — — WO disclosed
US-20230303501-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 — — US disclosed
US-20230303501-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 — — US disclosed
WO-2023001108-A1 PREPARATION OF HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都赜灵生物医药科技有限公司 2023-01-26 — — WO disclosed
WO-2019173761-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-09-12 — — WO disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 — — WO disclosed
US-20160089377-A1 THERAPEUTIC TARGETING OF THE MTOR PATHWAY IN NEURODEVELOPMENTAL AND NEUROPSYCHIATRIC DISEASE THE TRUSTEES OF COLUMBIA UNIVERISTY IN THE CITY OF NEW YORK (US) 2016-03-31 — — US disclosed
US-20160089377-A1 THERAPEUTIC TARGETING OF THE MTOR PATHWAY IN NEURODEVELOPMENTAL AND NEUROPSYCHIATRIC DISEASE THE TRUSTEES OF COLUMBIA UNIVERISTY IN THE CITY OF NEW YORK (US) 2016-03-31 — — US disclosed
EP-1757582-B1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-30 — — EP disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 — — US disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 — — US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 — — US disclosed
WO-2009050183-A2 IMIDAZO [1, 2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2009-04-23 — — WO disclosed
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 — — EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 — — WO disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 — — US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 — — US disclosed
EP-1757582-A1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-02-28 — — 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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 NPC1 2064/4885RAB9A 3440/4885MEN1 2021/4885
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES ABL1, LCK, SRC NPC1 3432/4885RAB9A 2862/4885MEN1 3047/4885
US-20230303501-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK NPC1 4021/4885RAB9A 775/4885MEN1 3978/4885
US-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 NPC1 743/4885RAB9A 3196/4885MEN1 2597/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 NPC1 1831/4885RAB9A 1422/4885MEN1 3040/4885
US-20160089377-A1 THERAPEUTIC TARGETING OF THE MTOR PATHWAY IN NEURODEVELOPMENTAL AND NEUROPSYCHIATRIC DISEASE SYNGR2, RICTOR, RPTOR NPC1 2469/4885RAB9A 1328/4885MEN1 3961/4885

“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.

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