SCHEMBL20158130

SCHEMBL20158130

O=C(c1ccc(F)cc1)c1ccc(CS(=O)(=O)C2CC2)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.37
PPARG P37231 8/20 0.37
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SSTR3 P32745 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PRNP P04156 1/20 0.34
MAPT P10636 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 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
SCHEMBL21351905 0.82 CA2 (0.41) MAPT
SCHEMBL21362568 0.82 EPHX2 (0.41) EPHX2HTR2AHTR2C
SCHEMBL20157557 0.82 PTPN1 (0.39) KMT2AMAPT
SCHEMBL20157579 0.81 TP53 (0.38) KMT2AMAPT
SCHEMBL21362252 0.80 S1PR1 (0.36) HDAC8HDAC6KMT2APRNPMAPT
SCHEMBL20157552 0.80 LMNA (0.38) KMT2AMAPT
SCHEMBL21362261 0.79 KCNJ6 (0.37) HDAC8HDAC6KMT2AMAPT
SCHEMBL20157523 0.78 CES2 (0.39) HDAC3HDAC8HDAC6MEN1KMT2A
SCHEMBL20157560 0.77 PTPN1 (0.43) HDAC3HDAC8HDAC6MEN1KMT2A
SCHEMBL20157409 0.77 CXCR2 (0.35) EPHX2PPARGPRNPMAPTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 EPHX2 4659/4885PPARG 1208/4885HDAC3 185/4885

“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.