SCHEMBL12610974

SCHEMBL12610974

COc1cccc2[nH]cc(C(=O)c3ccc(F)cc3)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ GAA P10253 2/20 0.45
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL15425997 0.85 ALDH1A1 (0.45) SMN1; SMN2NPSR1TP53ALDH1A1KDM4E
SCHEMBL395847 0.81 KDM4E (0.62) MTNR1AMTNR1BABCG2ALDH1A1KDM4E
SCHEMBL31518169 0.80 NR4A2 (0.59) MTNR1AMTNR1BABCG2ALDH1A1KDM4E
SCHEMBL12700469 0.80 ALDH1A1 (0.44) SMN1; SMN2NPSR1TP53GAAALDH1A1
SCHEMBL12611200 0.80 ALDH1A1 (0.44) SMN1; SMN2NPSR1TP53GAAALDH1A1
SCHEMBL3041131 0.80 KMT2A (0.51) SMN1; SMN2NPSR1TP53MTNR1AMTNR1B
SCHEMBL3052938 0.78 TP53 (0.48) SMN1; SMN2NPSR1TP53MTNR1AMTNR1B
SCHEMBL396665 0.76 CLEC4M (0.57) MTNR1AMTNR1BALDH1A1KDM4EHTR2A
SCHEMBL1562284 0.74 TUBB1 (0.62) TUBB1
SCHEMBL7359725 0.74 KDM4E (0.55) MTNR1AMTNR1BALDH1A1KDM4EHPGD

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
US-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2014-01-16 — — US disclosed
US-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2014-01-16 — — US disclosed
WO-2012127214-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2012-09-27 — — WO disclosed
WO-2012127214-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2012-09-27 — — 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-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE NOX4, NOX1, CYBB SMN1; SMN2 2870/4885NPSR1 1680/4885TP53 2443/4885

“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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