SCHEMBL17637910

SCHEMBL17637910

O=C1c2cc(Br)ccc2-c2ccc(-c3cccs3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A11 P48066 1/20 0.52
▸ S100A4 P26447 1/20 0.52
▸ PTPRC P08575 2/20 0.50
▸ BCL2 P10415 2/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ PGR P06401 2/20 0.42
▸ ERN1 O75460 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PDK2 Q15119 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.38
▸ NPC1 O15118 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
SCHEMBL21580251 0.90 SLC6A11 (0.61) SLC6A11PTPRCKCNH2PGRERN1
SCHEMBL30512416 0.90 SLC6A11 (0.61) SLC6A11PTPRCKCNH2PGRERN1
SCHEMBL27554974 0.83 SLC6A11 (0.58) SLC6A11PTPRCBCL2MCL1KCNH2
SCHEMBL12737886 0.76 SLC6A11 (0.50) SLC6A11KCNH2PGRERN1PDK2
SCHEMBL29390614 0.75 S100A4 (0.90) S100A4PTPRCBCL2MCL1CYP1A2
SCHEMBL39700 0.75 S100A4 (0.90) S100A4PTPRCBCL2MCL1CYP1A2
SCHEMBL16852596 0.75 PTPRC (0.63) S100A4PTPRCBCL2MCL1ALDH1A1
SCHEMBL15553849 0.75 PTPRC (0.63) S100A4PTPRCBCL2MCL1ALDH1A1
SCHEMBL1310724 0.73 ABL1 (0.60) KCNH2ABL1BCRPGRERN1
SCHEMBL27875479 0.72 MAPT (0.41) PTPRCKDM4EALDH1A1HPGDMEN1

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
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
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-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 (2 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 SLC6A11 3933/4885S100A4 3734/4885PTPRC 1986/4885
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures NISCH, SIRT3, NQO1 SLC6A11 3933/4885S100A4 3734/4885PTPRC 1986/4885

“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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