SCHEMBL20157477

SCHEMBL20157477

CS(=O)(=O)Nc1cc(Br)c(C(=O)c2ccc(F)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BDKRB1 P46663 1/20 0.40
CCR9 P51686 1/20 0.37
KIT P10721 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL20157667 0.87 MAPT (0.43) ALDH1A1KMT2ALMNATP53MAPT
SCHEMBL28476117 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ALMNATP53MAPT
SCHEMBL20157479 0.80 MAPT (0.38) ALDH1A1KMT2ALMNATP53MAPT
SCHEMBL20157971 0.78 NPC1 (0.44) ALDH1A1KMT2ALMNATP53MAPT
SCHEMBL20158009 0.77 GAA (0.38) ALDH1A1KMT2ALMNATP53MAPT
SCHEMBL20157953 0.76 RXRA (0.36) ALDH1A1KMT2ALMNATP53MAPT
SCHEMBL20491087 0.76 KMT2A (0.77) ALDH1A1KMT2ALMNATP53MAPT
SCHEMBL20158155 0.76 HDAC1 (0.42) ALDH1A1KMT2ALMNATP53MAPT
SCHEMBL21362803 0.75 GAA (0.37) KMT2ALMNATP53MAPTHTT
SCHEMBL21362817 0.75 HPGD (0.39) ALDH1A1LMNAMAPTKDM4E

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 3 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
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP 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 ALDH1A1 4457/4885KMT2A 1082/4885LMNA 2333/4885

“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.