SCHEMBL12611200

SCHEMBL12611200

COc1ccc(Br)c2[nH]cc(C(=O)c3ccc(F)cc3)c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ HPGD P15428 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37

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
SCHEMBL12700469 0.86 ALDH1A1 (0.44) ALDH1A1LMNACNR1CNR2HPGD
SCHEMBL15425995 0.84 ALDH1A1 (0.49) ALDH1A1LMNANPSR1MAPTSMN1; SMN2
SCHEMBL12610974 0.80 SMN1; SMN2 (0.51) ALDH1A1LMNAHPGDNPSR1MAPT
SCHEMBL397393 0.76 CLEC4M (0.52) ALDH1A1CNR1CNR2HPGDMAPT
SCHEMBL12215320 0.72 CYP3A4 (0.41) ALDH1A1CNR1CNR2HPGDMAPT
SCHEMBL12215131 0.71 CNR1 (0.40) ALDH1A1CNR1CNR2HPGDMAPT
SCHEMBL10839866 0.70 KDM4E (0.65) ALDH1A1CNR1CNR2HPGDMAPT
SCHEMBL20157863 0.70 ALDH1A1 (0.50) ALDH1A1LMNAHPGDNPSR1MAPT
SCHEMBL20157900 0.69 MAPT (0.58) ALDH1A1LMNAHPGDNPSR1MAPT
SCHEMBL17193969 0.69 MAPT (0.58) ALDH1A1LMNAHPGDNPSR1MAPT

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-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

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 ALDH1A1 517/4885LMNA 3790/4885CNR1 834/4885

“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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