SCHEMBL2116215

SCHEMBL2116215

O=C1c2ccccc2C(=O)N1c1cc(CBr)ns1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NR1H3 Q13133 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GLS O94925 1/20 0.35
PKM P14618 1/20 0.35
AR P10275 2/20 0.35
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
SCN2A Q99250 1/20 0.34
NR1H2 P55055 1/20 0.33

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
SCHEMBL2117374 0.77 KMT2A (0.45) ALDH1A1NR1H3MEN1KMT2AHTT
SCHEMBL18283899 0.74 MAOB (0.40) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL2119691 0.73 SCN2A (0.45) ALDH1A1MEN1KMT2AARSCN2A
SCHEMBL68721 0.70 ALDH1A1 (0.45) ALDH1A1NR1H3MEN1KMT2AHTT
SCHEMBL8607640 0.68 MEN1 (0.42) ALDH1A1MEN1KMT2AHTTCRHBP
SCHEMBL26964704 0.67 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHTTAR
SCHEMBL30645651 0.67 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHTTAR
SCHEMBL24370310 0.67 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTGLS
SCHEMBL29489076 0.67 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTGLS
SCHEMBL3766012 0.66 HTT (0.43) ALDH1A1MEN1KMT2AHTTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
EP-2443113-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2012-04-25 EP disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
WO-2010146338-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2010-12-23 WO disclosed
WO-2010146338-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2010-12-23 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 (3 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 ALDH1A1 361/4885NR1H3 32/4885MEN1 2558/4885
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK ALDH1A1 4726/4885NR1H3 3547/4885MEN1 3653/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK ALDH1A1 4726/4885NR1H3 3547/4885MEN1 3653/4885

“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.