SCHEMBL20157796

SCHEMBL20157796

O=C(c1ccc(Cl)cc1)c1ccc(C(Br)Br)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.43
KMT2A Q03164 3/20 0.43
NR4A1 P22736 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
CNR2 P34972 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL21362519 0.88 KMT2A (0.44) SRD5A2KMT2ANR4A1MAPK1MAPT
SCHEMBL20157556 0.84 LMNA (0.44) KMT2AMAPK1MAPTRAB9AMEN1
SCHEMBL10599055 0.83 SRD5A2 (0.54) SRD5A2KMT2ANR4A1MAPK1MAPT
SCHEMBL21550064 0.83 SMN1; SMN2 (0.46) SRD5A2KMT2AMAPK1MAPTRAB9A
SCHEMBL21352037 0.81 NPC1 (0.54) KMT2AMAPK1MAPTRAB9ACNR2
SCHEMBL20157336 0.81 NPC1 (0.40) KMT2ARAB9AFLT1FLT4KDR
SCHEMBL21550011 0.78 ALDH1A1 (0.44) KMT2AMAPK1MAPTRAB9APOLB
SCHEMBL20157798 0.78 MAPT (0.50) SRD5A2KMT2ANR4A1MAPK1MAPT
SCHEMBL21564732 0.77 RECQL (0.45) KMT2AMAPK1MAPTPOLB
SCHEMBL20157647 0.76 ALDH1A1 (0.44) KMT2AMAPK1MAPTRAB9APOLB

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 SRD5A2 2525/4885KMT2A 1082/4885NR4A1 279/4885

“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.