SCHEMBL20157971

SCHEMBL20157971

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MRGPRX1 Q96LB2 3/20 0.41
SLC10A6 Q3KNW5 1/20 0.40
PSIP1 O75475 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 2/20 0.37
BDKRB1 P46663 1/20 0.37
CCR9 P51686 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
SCHEMBL20157667 0.90 MAPT (0.43) MAPTKMT2ALMNATP53HTT
SCHEMBL21362817 0.85 HPGD (0.39) MAPTLMNAHPGDKDM4EALDH1A1
SCHEMBL21550169 0.81 KMT2A (0.44) NPC1MAPTKMT2AHPGDKDM4E
SCHEMBL20157979 0.80 MAPT (0.43) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL20157477 0.78 ALDH1A1 (0.52) MAPTKMT2ALMNATP53HTT
SCHEMBL28469745 0.73 KMT2A (0.47) NPC1RAB9AMAPTKMT2AHPGD
SCHEMBL21352001 0.73 CNR2 (0.34) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL20157674 0.72 MAPT (0.50) NPC1RAB9AMAPTKMT2ATP53
SCHEMBL19303541 0.72 PSIP1 (0.59) KMT2ALMNAHPGDMRGPRX1PSIP1
SCHEMBL21352002 0.71 KMT2A (0.34) NPC1RAB9AMAPTKMT2ALMNA

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 NPC1 698/4885RAB9A 4201/4885MAPT 237/4885

“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.