SCHEMBL20157667

SCHEMBL20157667

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PSIP1 O75475 1/20 0.41
MRGPRX1 Q96LB2 7/20 0.41
BDKRB1 P46663 1/20 0.38
GAA P10253 1/20 0.38
CHRNA7 P36544 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL20157971 0.90 NPC1 (0.44) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL21362817 0.87 HPGD (0.39) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL20157477 0.87 ALDH1A1 (0.52) MAPTALDH1A1KDM4ELMNATP53
SCHEMBL21550169 0.83 KMT2A (0.44) MAPTHPGDALDH1A1KDM4EKMT2A
SCHEMBL20158009 0.80 GAA (0.38) MAPTALDH1A1KDM4ELMNATP53
SCHEMBL21362803 0.78 GAA (0.37) MAPTLMNATP53HTTKMT2A
SCHEMBL20157479 0.78 MAPT (0.38) MAPTALDH1A1LMNATP53HTT
SCHEMBL20157487 0.78 CXCR2 (0.37) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL20157979 0.77 MAPT (0.43) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL21362239 0.76 BRD4 (0.42)

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 MAPT 237/4885HPGD 1266/4885ALDH1A1 4457/4885

“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.