SCHEMBL20158085

SCHEMBL20158085

COc1ccc(C(=O)c2ccc(C(Br)Br)cc2Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.50
LMNA P02545 4/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 6/20 0.48
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HPGD P15428 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
ACHE P22303 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 6/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL20157488 0.91 HTT (0.49) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL20157647 0.90 ALDH1A1 (0.44) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL20157480 0.84 ALDH1A1 (0.46) HTTLMNAMAPK1ALDH1A1HPGD
SCHEMBL20158084 0.83 HTT (0.54) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL21550011 0.82 ALDH1A1 (0.44) HTTMAPK1RAB9AALDH1A1HPGD
SCHEMBL16364815 0.81 HTT (0.58) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL20158041 0.81 RAB9A (0.39) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL21352037 0.80 NPC1 (0.54) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL20158040 0.80 ACHE (0.54) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL21352048 0.80 LCK (0.38) HTTRAB9AALDH1A1KMT2AMAPT

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 HTT 1073/4885LMNA 2333/4885MAPK1 809/4885

“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.