SCHEMBL3558405

SCHEMBL3558405

COC(=O)CCc1cc2cccc(Br)c2n1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RPS6KB2 Q9UBS0 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
EGFR P00533 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PTPN1 P18031 2/20 0.35
POLB P06746 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 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
SCHEMBL3625737 0.85 HDAC6 (0.40) KDM4EALDH1A1POLB
SCHEMBL9105728 0.78 NPC1 (0.53) CYP11B1CYP11B2TSHRPTPN1POLB
SCHEMBL3567444 0.76 PTGS2 (0.38) KDM4EALDH1A1EGFRPOLB
SCHEMBL3568292 0.75 MEN1 (0.34) ALDH1A1CYP1A2CYP2C19
SCHEMBL30819807 0.70 CYP1A2 (0.47) KDM4ECYP1A2CYP2C19PTPN1MTNR1A
SCHEMBL31681025 0.70 CYP1A2 (0.47) KDM4ECYP1A2CYP2C19PTPN1MTNR1A
SCHEMBL8017451 0.68 MTNR1A (0.48) CYP11B1CYP11B2KDM4EALDH1A1MTNR1A
SCHEMBL689437 0.68 MCL1 (0.56) KDM4EALDH1A1CYP1A2TSHRPOLB
SCHEMBL689438 0.68 HPGD (0.35) KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL3565037 0.68 KDM4E (0.45) KDM4ECYP1A2TSHR

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-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
CN-101128424-A Indole compound and use thereof ONO PHARMACEUTICAL CO (JP) 2008-02-20 CN 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 CYP11B1 441/4885CYP11B2 445/4885KDM4E 2963/4885

“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.