SCHEMBL6185932

SCHEMBL6185932

COc1ccc(CNC(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 2/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 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
SCHEMBL6186334 0.91 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4ETDP1MAPT
SCHEMBL24838807 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL13400097 0.87 HDAC1 (0.50) ALDH1A1MAPTHDAC1HDAC6SMN1; SMN2
SCHEMBL19553511 0.87 NAMPT (0.44) ALDH1A1L3MBTL1HDAC1
SCHEMBL2037435 0.86 CYP1A2 (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL7370094 0.85 TRPV1 (0.61) ALDH1A1KDM4EHDAC1
SCHEMBL6681923 0.85 ALDH1A1 (0.52) ALDH1A1L3MBTL1HDAC1KMT2AMEN1
SCHEMBL31142951 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1HDAC1HDAC6SMN1; SMN2
SCHEMBL2043513 0.84 CYP2D6 (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL1985433 0.83 HDAC1 (0.51) L3MBTL1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 US disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed
EP-0979227-B1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA PHARMACEUTICAL (JP) 2005-11-16 EP disclosed
US-6352982-B1 TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-05 US disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 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 (1 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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B ALDH1A1 4679/4885L3MBTL1 3065/4885KDM4E 2435/4885

“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.