SCHEMBL3561208

SCHEMBL3561208

COC(=O)CCCn1cc(/C=C/C(=O)O)c2c(Br)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LTB4R Q15722 2/20 0.40
▸ LTB4R2 Q9NPC1 2/20 0.40
▸ CYSLTR2 Q9NS75 2/20 0.37
▸ CYSLTR1 Q9Y271 2/20 0.37
▸ CNR1 P21554 3/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35

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
SCHEMBL3561211 1.00 MEN1 (0.41) MEN1KMT2ALTB4RLTB4R2CYSLTR2
SCHEMBL3566159 0.79 CNR2 (0.40) CYSLTR2CYSLTR1CNR1CNR2
SCHEMBL3562254 0.79 GAA (0.49) CNR1CNR2LMNAMAPT
SCHEMBL8264365 0.70 ALDH1A1 (0.61) MEN1KMT2ACNR1CNR2RAB9A
SCHEMBL9023118 0.69 LTB4R (0.74) LTB4RLTB4R2
SCHEMBL9023120 0.69 LTB4R (0.74) LTB4RLTB4R2
SCHEMBL27774971 0.69 CNR1 (0.41) MEN1KMT2ACNR1CNR2
SCHEMBL8542991 0.68 TBXAS1 (0.43) MEN1KMT2ALTB4RLTB4R2CYSLTR2
SCHEMBL8542984 0.68 TBXAS1 (0.43) MEN1KMT2ALTB4RLTB4R2CYSLTR2
SCHEMBL3561468 0.67 CYSLTR2 (0.50) MEN1KMT2ACYSLTR2CYSLTR1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 — — EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 — — US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 — — US disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 — — EP 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 MEN1 4327/4885KMT2A 2961/4885LTB4R 5/4885

“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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