SCHEMBL20157680

SCHEMBL20157680

Nc1cc(Br)c(C(=O)c2ccc(F)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.38
HDAC1 Q13547 1/20 0.38
GRM5 P41594 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTA4H P09960 1/20 0.38
RXRA P19793 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL20157693 0.88 MAPT (0.49) POLBALDH1A1MAPTNPC1MAPK1
SCHEMBL20157692 0.86 MAPK1 (0.44) POLBALDH1A1MAPTNPC1MAPK1
SCHEMBL20157492 0.85 MAPT (0.57) POLBALDH1A1MAPTNPC1MAPK1
SCHEMBL20157496 0.84 HDAC1 (0.43) POLBALDH1A1MAPTNPC1MAPK1
SCHEMBL21550431 0.84 HPGD (0.44) POLBALDH1A1NPC1HPGDKEAP1
SCHEMBL20157704 0.82 NPC1 (0.44) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL20157673 0.82 RXRA (0.35) POLBALDH1A1HPGDHDAC1RXRA
SCHEMBL21362622 0.81 MAPT (0.46) POLBALDH1A1MAPTNPC1MAPK1
SCHEMBL20157718 0.79 MDM2 (0.38) ALDH1A1MAPTHTTHPGDLTA4H
SCHEMBL20157993 0.79 PTPN1 (0.40) MAPTNPC1MAPK1HTTLTA4H

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 POLB 1116/4885ALDH1A1 4457/4885MAPT 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.