SCHEMBL20158041

SCHEMBL20158041

COc1cc(C(=O)c2ccc(C(Br)Br)cc2Br)c(Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
PYGL P06737 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
CASP3 P42574 1/20 0.33
PPP1CA P62136 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL21362666 0.92 RAB9A (0.38) RAB9ANPC1MAPTLCKFYN
SCHEMBL20158043 0.84 RAB9A (0.41) RAB9ANPC1MAPTLCKFYN
SCHEMBL20158038 0.81 CYP4F2 (0.40) RAB9ANPC1MAPTLCKFYN
SCHEMBL20158085 0.81 HTT (0.50) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL20157647 0.81 ALDH1A1 (0.44) RAB9ANPC1MAPTLCKFYN
SCHEMBL21352048 0.80 LCK (0.38) RAB9ANPC1MAPTLCKFYN
SCHEMBL21352170 0.78 HPGD (0.43) RAB9ANPC1ALDH1A1LMNAPYGL
SCHEMBL21550011 0.78 ALDH1A1 (0.44) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL20158044 0.77 NPC1 (0.35) RAB9ANPC1MAPTLCKFYN
SCHEMBL20157336 0.76 NPC1 (0.40) RAB9ANPC1ALDH1A1LMNASMN1; SMN2

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 5 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
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
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 RAB9A 4201/4885NPC1 698/4885MAPT 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.