SCHEMBL20157693

SCHEMBL20157693

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SRD5A2 P31213 2/20 0.44
NR4A1 P22736 1/20 0.44
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
ADORA1 P30542 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL20157692 0.89 MAPK1 (0.44) MAPTTDP1RAB9APOLBALDH1A1
SCHEMBL20157680 0.88 POLB (0.42) MAPTTDP1POLBALDH1A1MAPK1
SCHEMBL20157492 0.88 MAPT (0.57) MAPTRAB9APOLBALDH1A1SRD5A2
SCHEMBL20157674 0.84 MAPT (0.50) MAPTTDP1KMT2ARAB9AMEN1
SCHEMBL21362622 0.84 MAPT (0.46) MAPTKMT2ARAB9AMEN1POLB
SCHEMBL10599055 0.78 SRD5A2 (0.54) MAPTTDP1KMT2ARAB9AMEN1
SCHEMBL21362614 0.78 TP53 (0.52) MAPTKMT2ARAB9AMEN1SRD5A2
SCHEMBL3543844 0.75 MAPT (0.73) MAPTTDP1KMT2ARAB9AMEN1
SCHEMBL17025499 0.75 MAPK1 (0.50) MAPTTDP1KMT2ARAB9AMEN1
SCHEMBL9464665 0.74 TP53 (0.54) MAPTTDP1KMT2ARAB9AMEN1

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 MAPT 237/4885TDP1 2805/4885KMT2A 1082/4885

“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.