SCHEMBL2958737

SCHEMBL2958737

Oc1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
ME3 Q16798 4/20 0.49
ESR2 Q92731 2/20 0.47
GAA P10253 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD4 P21917 2/20 0.44
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
ME2 P23368 2/20 0.40
ME1 P48163 2/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL7543878 0.88 AR (0.50) TDP1KDM4EMAPTALDH1A1PKM
SCHEMBL7041242 0.81 MAPT (0.68) TDP1KDM4EMAPTALDH1A1PKM
SCHEMBL25900 0.81 MAPT (0.55) TDP1KDM4EMAPTALDH1A1ESR2
SCHEMBL5545948 0.81 TDP1 (0.51) TDP1KDM4EMAPTALDH1A1PKM
SCHEMBL14242636 0.81 L3MBTL3 (0.44) TDP1MAPTL3MBTL3L3MBTL1CDK1
SCHEMBL5538409 0.81 NOTUM (0.54) TDP1KDM4EMAPTALDH1A1LMNA
SCHEMBL578424 0.81 ALDH1A1 (0.50) MAPTALDH1A1GAAKMT2AL3MBTL3
SCHEMBL2158833 0.81 NOTUM (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL169776 0.81 ADRB1 (0.53) TDP1KDM4EMAPTALDH1A1MEN1
SCHEMBL2231850 0.81 L3MBTL3 (0.44) MAPTME3L3MBTL3L3MBTL1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727782-B1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2012-08-22 EP claimed
CN-100478325-C Preparation method for aminophenol compound OTSUKA PHARMA CO LTD (JP) 2009-04-15 CN claimed
US-20070219374-A1 Method of Producing Aminophenol Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US claimed
CN-1938261-A Preparation method for aminophenol compound OTSUKA PHARMA CO LTD (JP) 2007-03-28 CN claimed
EP-1727782-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-12-06 EP claimed
WO-2005092832-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 WO claimed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-1727782-B1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2012-08-22 EP disclosed
US-7750156-B2 Method of producing aminophenol compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
CN-100478325-C Preparation method for aminophenol compound OTSUKA PHARMA CO LTD (JP) 2009-04-15 CN disclosed
US-20070219374-A1 Method of Producing Aminophenol Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1938261-A Preparation method for aminophenol compound OTSUKA PHARMA CO LTD (JP) 2007-03-28 CN disclosed
EP-1727782-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-12-06 EP disclosed
WO-2005092832-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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 (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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TDP1 4534/4885KDM4E 4141/4885MAPT 4864/4885
US-20070219374-A1 Method of Producing Aminophenol Compounds PAH, CYP1A1, CYP1B1 TDP1 4210/4885KDM4E 791/4885MAPT 4188/4885

“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.