SCHEMBL16599338

SCHEMBL16599338

O=C(c1sc2ccccc2c1Br)c1sc2ccccc2c1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.59
▸ MAOB P27338 4/20 0.50
▸ LIMK1 P53667 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ IKBKB O14920 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ PRNP P04156 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GABRA1 P14867 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ OGG1 O15527 1/20 0.45

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
SCHEMBL346530 0.86 MCL1 (0.62) PTGS2MAOBLIMK1HDAC1HDAC8
SCHEMBL347996 0.85 LIMK1 (0.66) PTGS2MAOBLIMK1HDAC1HDAC8
SCHEMBL30980091 0.85 PTGS2 (0.56) PTGS2MAOBLIMK1HDAC1HDAC8
SCHEMBL2503631 0.85 PTGS2 (0.56) PTGS2MAOBLIMK1HDAC1HDAC8
SCHEMBL1805430 0.80 LMNA (0.69) PTGS2MAOBLIMK1HDAC1HDAC8
SCHEMBL3978950 0.77 PTGS2 (0.43) PTGS2MAOBLIMK1HDAC1HDAC8
SCHEMBL7088656 0.76 MCL1 (0.76) HDAC1HDAC8HDAC6MCL1PRNP
SCHEMBL16598796 0.76 RXFP1 (0.73) MAOBLIMK1HDAC1HDAC8HDAC6
SCHEMBL16599116 0.76 LIMK1 (0.50) PTGS2MAOBLIMK1HDAC1HDAC8
SCHEMBL6598312 0.76 MAOB (0.46) PTGS2MAOBLIMK1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 — — US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 — — 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 (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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS PTGS2 1170/4885MAOB 4298/4885LIMK1 3629/4885

“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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