SCHEMBL18573201

SCHEMBL18573201

Nc1ccc(-c2ccc(Br)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPT P10636 3/20 0.44
METAP2 P50579 2/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
EPRS1 P07814 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL30337692 0.89 METAP2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8974216 0.89 METAP2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18555439 0.88 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2MAPK1NFKB1
SCHEMBL6804411 0.87 METAP2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30087143 0.87 METAP2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1416706 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPK1NFKB1
SCHEMBL15854458 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPK1NFKB1
SCHEMBL19933574 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPK1NFKB1
SCHEMBL15614080 0.79 HSD17B10 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9237008 0.79 KDM1A (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11031562-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 WO disclosed
WO-2017032439-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-03-02 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 (4 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-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 NPC1 3533/4885RAB9A 2231/4885SMN1; SMN2 3848/4885
US-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 NPC1 3647/4885RAB9A 2094/4885SMN1; SMN2 3771/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 NPC1 3533/4885RAB9A 2231/4885SMN1; SMN2 3848/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 NPC1 3533/4885RAB9A 2231/4885SMN1; SMN2 3848/4885

“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.