SCHEMBL21362215

SCHEMBL21362215

CCSNc1cc(Br)c(C(=O)c2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 5/20 0.39
SRD5A2 P31213 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC10A6 Q3KNW5 1/20 0.36
POLB P06746 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
SCHEMBL21362075 0.90 TP53 (0.40) KMT2ATP53MAPTRAB9AKCNH2
SCHEMBL20158009 0.78 GAA (0.38) KMT2ATP53MAPTRAB9AKCNH2
SCHEMBL20158012 0.73 PPARG (0.40) KMT2ATP53MAPTRAB9AKCNH2
SCHEMBL20157979 0.72 MAPT (0.43) KMT2ATP53MAPTRAB9AALDH1A1
SCHEMBL20157905 0.71 POLB (0.32) GAAALDH1A1SMN1; SMN2POLB
SCHEMBL21362614 0.71 TP53 (0.52) KMT2ATP53MAPTRAB9AKCNH2
SCHEMBL10599055 0.71 SRD5A2 (0.54) KMT2ATP53MAPTRAB9ASRD5A2
SCHEMBL20157693 0.71 MAPT (0.49) KMT2AMAPTRAB9ASRD5A2ALDH1A1
SCHEMBL20157971 0.71 NPC1 (0.44) KMT2ATP53MAPTRAB9AKCNH2
SCHEMBL21362160 0.71 MAPT (0.36) KMT2AMAPTRAB9AKCNH2SRD5A2

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 1 patent. 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

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 1082/4885TP53 197/4885MAPT 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.