SCHEMBL20157702

SCHEMBL20157702

Cc1cc(Br)c(C(O)c2ccc(F)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.36
KMT2A Q03164 2/20 0.35
BRD4 O60885 2/20 0.35
CREBBP Q92793 1/20 0.34
S1PR1 P21453 1/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTR1E P28566 1/20 0.32
S1PR3 Q99500 1/20 0.32
MCL1 Q07820 1/20 0.32
EGFR P00533 1/20 0.31
LCK P06239 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL20157701 0.88 LMNA (0.39) LMNAKMT2ABRD4S1PR1THRB
SCHEMBL21352143 0.84 BRD4 (0.34) ATMKMT2ABRD4CREBBPTHRA
SCHEMBL20157860 0.79 PDE10A (0.38) LMNAKMT2ATHRATHRBMAPT
SCHEMBL21362758 0.78 S1PR3 (0.38) BRD4CREBBPS1PR1S1PR3AOC3
SCHEMBL21362648 0.76 ACHE (0.39) ATMLMNASMN1; SMN2KMT2ABRD4
SCHEMBL20157837 0.76 ACHE (0.39) ATMLMNANPC1RAB9ASMN1; SMN2
SCHEMBL11867787 0.75 HDAC3 (0.36) ATMKMT2ABRD4THRATHRB
SCHEMBL21550145 0.74 MDM2 (0.33)
SCHEMBL1349570 0.73 SLC6A3 (0.41) ATMNPC1RAB9ASMN1; SMN2AR
SCHEMBL20157869 0.73 PSEN1 (0.38) S1PR3CYP3A4SLC6A4

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 ATM 1628/4885LMNA 2333/4885NPC1 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.