SCHEMBL20158043

SCHEMBL20158043

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL21362528 0.87 LCK (0.42) RAB9AMAPTLCKFYNMEN1
SCHEMBL20158038 0.84 CYP4F2 (0.40) RAB9AMAPTNPC1LCKFYN
SCHEMBL20158041 0.84 RAB9A (0.39) RAB9AMAPTNPC1LCKFYN
SCHEMBL21362666 0.83 RAB9A (0.38) RAB9AMAPTNPC1LCKFYN
SCHEMBL20158044 0.79 NPC1 (0.35) RAB9AMAPTNPC1LCKFYN
SCHEMBL20158084 0.79 HTT (0.54) RAB9AMAPTNPC1KMT2APOLB
SCHEMBL20157484 0.79 ALDH1A1 (0.48) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL20158021 0.79 LCK (0.46) RAB9AMAPTNPC1LCKFYN
SCHEMBL20158157 0.79 KMT2A (0.41) RAB9AMAPTNPC1LCKFYN
SCHEMBL21352079 0.78 HPGD (0.46) RAB9AMAPTNPC1MEN1KMT2A

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 4 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
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 4201/4885MAPT 237/4885NPC1 698/4885

“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.