SCHEMBL17637791

SCHEMBL17637791

O=c1oc2ccccc2c2cc(Br)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ PIK3CD O00329 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ PIK3CB P42338 1/20 0.51
▸ PIK3CG P48736 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TNKS O95271 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GABRP O00591 2/20 0.47
▸ GABRD O14764 2/20 0.47

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
SCHEMBL10357156 0.93 NPSR1 (0.53) NPSR1RXFP1PIK3CDPIK3CAPIK3CB
SCHEMBL31511489 0.93 NPSR1 (0.53) NPSR1RXFP1PIK3CDPIK3CAPIK3CB
SCHEMBL16797962 0.87 NPSR1 (0.64) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL16801876 0.87 NPC1 (0.64) NPSR1RXFP1PIK3CDPIK3CAPIK3CB
SCHEMBL16925949 0.81 CYP1A2 (0.43) RXFP1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29709713 0.80 KMT2A (0.62) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL304367 0.80 KMT2A (0.62) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL29416517 0.80 KMT2A (0.62) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL205534 0.79 PDE2A (0.56) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL26768424 0.79 CDC25A (0.48) NPSR1RXFP1L3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 — — US disclosed
EP-3197887-B1 HETEROCYCLIC COMPOUNDS WITH BENZO[C]COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2020-09-23 — — EP disclosed
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures MERCK PATENT GMBH (DE) 2019-08-13 — — US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 — — EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2017-10-19 — — US disclosed
US-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2017-10-19 — — US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 — — WO disclosed
WO-2016045769-A1 HETEROCYCLIC COMPOUNDS WITH BENZO[C]COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2016-03-31 — — 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-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES NISCH, SIRT3, NQO1 NPSR1 2494/4885RXFP1 4685/4885PIK3CD 3719/4885
US-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC NPSR1 3462/4885RXFP1 4808/4885PIK3CD 2059/4885
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures NISCH, SIRT3, NQO1 NPSR1 2494/4885RXFP1 4685/4885PIK3CD 3719/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 NPSR1 3181/4885RXFP1 4865/4885PIK3CD 2933/4885

“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.

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