SCHEMBL10074091

SCHEMBL10074091

COC(=O)CCn1nc(N2CCNCC2)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.54
▸ HTR2A P28223 3/20 0.54
▸ TP53 P04637 1/20 0.45
▸ HTR2B P41595 1/20 0.41
▸ MAPT P10636 2/20 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
SCHEMBL13533715 0.93 HTR2C (0.52) HTR2CHTR2ATP53HTR2B
SCHEMBL10073890 0.88 HTR2C (0.53) HTR2CHTR2ATP53MAPT
SCHEMBL10073212 0.77 CYP1A2 (0.49) HTR2CHTR2ATP53HTR2B
SCHEMBL13533076 0.73 HTR2C (0.54) HTR2CHTR2AHTR2B
SCHEMBL4940025 0.72 HTR2C (0.48) HTR2CHTR2AHTR2B
SCHEMBL21646421 0.72 TP53 (0.51) TP53MAPT
SCHEMBL10074089 0.71 CYP1A2 (0.46) HTR2CHTR2ATP53HTR2B
SCHEMBL10073693 0.70 HTR2C (0.45) HTR2CHTR2ATP53
SCHEMBL10072963 0.70 BCL2A1 (0.52) HTR2CHTR2ATP53MAPT
SCHEMBL22984921 0.69 KDM4E (0.67) MAPT

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
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
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

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 HTR2C 3559/4885HTR2A 4321/4885TP53 3381/4885

“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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