SCHEMBL20157993

SCHEMBL20157993

O=C(c1ccc(F)cc1)c1cc(Cl)c(CBr)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LTA4H P09960 1/20 0.36
RXRA P19793 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL20157995 0.86 MAPT (0.44) RXRALMNAMAPTHTTNPC1
SCHEMBL21351938 0.85 PTPN1 (0.42) PTPN1KMT2AMEN1LTA4HRXRA
SCHEMBL20157994 0.82 KMT2A (0.38) KMT2AMEN1RXRALMNATP53
SCHEMBL21351887 0.80 KMT2A (0.34) KMT2AMEN1RXRALMNATP53
SCHEMBL21352150 0.80 ALDH1A1 (0.43) KMT2ALMNAMAPTHTTNPC1
SCHEMBL20157704 0.79 NPC1 (0.44) KMT2AMEN1LTA4HRXRALMNA
SCHEMBL20157680 0.79 POLB (0.42) LTA4HRXRAMAPTHTTNPC1
SCHEMBL21352098 0.78 CISD1 (0.38) KMT2ALMNATP53MAPTHTT
SCHEMBL20157718 0.77 MDM2 (0.38) PTPN1KMT2AMEN1LTA4HRXRA
SCHEMBL21550056 0.75 HPGD (0.42) KMT2ALMNATP53NPC1MAPK1

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 PTPN1 4699/4885KMT2A 1082/4885MEN1 1304/4885

“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.