SCHEMBL16180169

SCHEMBL16180169

CCOc1cncc(-c2cccc(C=O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.52
▸ CYP11B2 P19099 4/20 0.52
▸ CYP19A1 P11511 1/20 0.47
▸ CDK8 P49336 1/20 0.45
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ S1PR1 P21453 2/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ FGFR2 P21802 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ PIK3CG P48736 1/20 0.43
▸ MAOA P21397 3/20 0.42
▸ MAOB P27338 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 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
SCHEMBL17583600 0.88 RXRA (0.55) RXRARXRBFGFR1FGFR2FGFR3
SCHEMBL16180014 0.85 CHEK1 (0.44) CYP11B1CYP11B2CDK8MAOAMAOB
SCHEMBL16180062 0.84 CYP11B1 (0.53) CYP11B1CYP11B2CDK8TDP1CA12
SCHEMBL30423385 0.79 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1RXRARXRB
SCHEMBL29432706 0.78 MAOA (0.62) MAOAMAOBKDM4ETDP1ALDH1A1
SCHEMBL493931 0.78 MAOA (0.62) MAOAMAOBKDM4ETDP1ALDH1A1
SCHEMBL24619989 0.78 CYP11B1 (0.44) CYP11B1CYP11B2PRMT5WDR77S1PR1
SCHEMBL17687954 0.78 PIK3CG (0.42) CDK8PIK3CGALDH1A1SMN1; SMN2NPC1
SCHEMBL17157579 0.78 RXRA (0.61) RXRARXRBFGFR1FGFR2FGFR3
SCHEMBL3884124 0.77 CHRNB2 (0.55) CYP11B1CYP11B2KDM4EALDH1A1SMN1; SMN2

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-2986607-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-06-14 — — EP disclosed
US-9527867-B2 Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-12-27 — — US disclosed
US-20160075722-A1 Antibacterial Biaromatic Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-17 — — US disclosed
EP-2986607-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-02-24 — — EP disclosed
WO-2014170821-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-23 — — 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-20160075722-A1 Antibacterial Biaromatic Derivatives CYC1, C5, CYCS CYP11B1 1466/4885CYP11B2 2221/4885CYP19A1 1995/4885

“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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