SCHEMBL30980091

SCHEMBL30980091

O=C(Cl)c1sc2ccccc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.56
▸ MCL1 Q07820 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ LIMK1 P53667 2/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ OGG1 O15527 1/20 0.46
▸ MAOB P27338 3/20 0.44
▸ MAOA P21397 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GABRA1 P14867 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL16599338 0.85 PTGS2 (0.59) PTGS2MCL1HDAC1HDAC8HDAC6
SCHEMBL346530 0.83 MCL1 (0.62) PTGS2MCL1HDAC1HDAC8HDAC6
SCHEMBL2503631 0.81 PTGS2 (0.56) PTGS2MCL1HDAC1HDAC8HDAC6
SCHEMBL347996 0.81 LIMK1 (0.66) PTGS2MCL1HDAC1HDAC8HDAC6
SCHEMBL27629193 0.79 MCL1 (0.53) MCL1HDAC1HDAC8HDAC6LIMK1
SCHEMBL64428 0.79 MCL1 (0.73) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL2610245 0.78 RXFP1 (0.59) MCL1HDAC1HDAC8HDAC6LIMK1
SCHEMBL1805430 0.77 LMNA (0.69) PTGS2MCL1HDAC1HDAC8HDAC6
SCHEMBL11393871 0.74 MCL1 (0.47) MCL1HDAC1HDAC8HDAC6LIMK1
SCHEMBL6596229 0.74 LMNA (0.51) MCL1HDAC1HDAC8HDAC6LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4330257-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-03-19 — — EP disclosed
US-20240246983-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-07-25 — — US 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-20240246983-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES NES, NUDC, NCL PTGS2 1515/4885MCL1 3859/4885HDAC1 2910/4885

“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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