SCHEMBL20157512

SCHEMBL20157512

COc1cc(F)ccc1C(=O)c1ccc(CBr)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
NR3C1 P04150 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
PYGL P06737 1/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL20157513 0.87 NPC1 (0.46) NPC1SMN1; SMN2RAB9AFFAR4FFAR1
SCHEMBL21362429 0.85 SMN1; SMN2 (0.41) NPC1SMN1; SMN2RAB9AFFAR4FFAR1
SCHEMBL20158023 0.85 ABL1 (0.45) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL20158025 0.84 NPC1 (0.42) NPC1SMN1; SMN2RAB9AFFAR4FFAR1
SCHEMBL20157850 0.84 MAPT (0.39) NPC1SMN1; SMN2RAB9AFFAR4FFAR1
SCHEMBL20158157 0.82 KMT2A (0.41) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL20157777 0.82 CES2 (0.47) KMT2ANR3C1
SCHEMBL27709578 0.81 NPC1 (0.51) NPC1SMN1; SMN2RAB9AFFAR4FFAR1
SCHEMBL21362819 0.81 ACHE (0.40) NPC1SMN1; SMN2RAB9AKMT2ALCK
SCHEMBL20157984 0.81 NPC1 (0.38) NPC1SMN1; SMN2RAB9AMAPTLCK

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 4 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
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 NPC1 698/4885SMN1; SMN2 4369/4885RAB9A 4201/4885

“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.