SCHEMBL10072963

SCHEMBL10072963

COc1cccc(Cn2nc(N3CCNCC3)ccc2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2A1 Q16548 1/20 0.52
▸ USP2 O75604 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ CYP3A4 P08684 5/20 0.49
▸ CYP2D6 P10635 5/20 0.49
▸ CYP2C19 P33261 5/20 0.49
▸ HIF1A Q16665 4/20 0.49
▸ CYP1A2 P05177 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ HTR2C P28335 5/20 0.48
▸ CASP1 P29466 4/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ CASP4 P49662 1/20 0.47
▸ CASP5 P51878 1/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ CASP7 P55210 3/20 0.47
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL13533084 0.88 ALDH1A1 (0.53) USP2ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL3092221 0.75 MET (0.66) HTR2CHTR2A
SCHEMBL10073695 0.75 MAPT (0.47) ALDH1A1MAPTTP53LMNA
SCHEMBL3847058 0.74 SIGMAR1 (0.72) ALDH1A1TSHRADRB1MAPTMEN1
SCHEMBL29463795 0.74 SIGMAR1 (0.72) ALDH1A1TSHRADRB1MAPTMEN1
Hydrochloric Acid SCHEMBL7422123 0.73 SIGMAR1 (0.70) ALDH1A1TSHRADRB1MAPTMEN1
SCHEMBL1382022 0.73 SIGMAR1 (0.70) ALDH1A1TSHRADRB1MAPTMEN1
SCHEMBL10073890 0.72 HTR2C (0.53) MAPTHTR2CHTR2ATP53
SCHEMBL4126947 0.70 MAPT (0.65) MAPTTP53MEN1KMT2A
SCHEMBL10074091 0.70 HTR2C (0.54) MAPTHTR2CHTR2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310395-B1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2012-01-18 — — EP disclosed
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 — — US disclosed
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 — — US disclosed
EP-2145891-A1 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL S.A. (FR) 2010-01-20 — — EP disclosed
WO-2010004394-A1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — WO disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — US disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — US 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-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS Q6ZSR9, NQO2, RECQL BCL2A1 1637/4885USP2 3870/4885ALDH1A1 2113/4885

“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.

Send feedback