SCHEMBL13326693

SCHEMBL13326693

O=C1C(C(O)F)CCN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MEN1 O00255 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
SCHEMBL7780936 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC6KMT2APOLB
SCHEMBL29086028 0.85 HDAC1 (0.43) HDAC1HDAC8HDAC6KMT2APOLB
SCHEMBL7782731 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC6KMT2APOLB
SCHEMBL7779876 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC6KMT2APOLB
SCHEMBL7779878 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC6KMT2APOLB
SCHEMBL7775653 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC6KMT2APOLB
SCHEMBL13359888 0.84 HDAC1 (0.44) HDAC1HDAC8HDAC6KMT2APOLB
SCHEMBL17138602 0.81 ELANE (0.46) HDAC1HDAC8HDAC6KMT2APOLB
SCHEMBL585894 0.80 APP (0.45) HDAC1HDAC8HDAC6KMT2APOLB
SCHEMBL27845692 0.80 APP (0.45) HDAC1HDAC8HDAC6KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 — — US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 — — 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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR HDAC1 1758/4885HDAC8 1486/4885HDAC6 2464/4885

“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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