SCHEMBL21352002

SCHEMBL21352002

CCS(=O)(=O)CCN(c1cc(Br)c(C(=O)c2ccc(Cl)cc2)cc1F)[SH](=O)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
RAB9A P51151 2/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 1/20 0.33
KCNH2 Q12809 2/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
LSS P48449 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
FLT1 P17948 2/20 0.31
FLT4 P35916 2/20 0.31
KDR P35968 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL21352154 0.92 CHRNA7 (0.32) KMT2AMAPTLMNATP53HTT
SCHEMBL21352132 0.89 KMT2A (0.37) KMT2ARAB9AKCNH2MAPTLMNA
SCHEMBL21352187 0.85 MAPT (0.34) KMT2AMAPTLMNATP53HTT
SCHEMBL21352001 0.80 CNR2 (0.34) KMT2ARAB9ACNR2NPC1KCNH2
SCHEMBL21550106 0.76 NPC1 (0.35) RAB9ANPC1LMNA
Sulfuric Acid SCHEMBL21553725 0.74 NPC1 (0.34) NPC1LMNA
Sulfuric Acid SCHEMBL21553727 0.73 NPC1 (0.33) NPC1LMNA
SCHEMBL21352190 0.72 CA12 (0.35) KMT2AMAPTLMNATP53HTT
SCHEMBL21352153 0.72 CHRNA7 (0.33) KMT2AMAPTLMNATP53HTT
SCHEMBL20157971 0.71 NPC1 (0.44) KMT2ARAB9ANPC1KCNH2MAPT

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
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

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 KMT2A 1082/4885RAB9A 4201/4885CNR2 503/4885

“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.