SCHEMBL13533786

SCHEMBL13533786

O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2ccc(=O)[nH]n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.50
▸ POLB P06746 1/20 0.41
▸ SMO Q99835 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ FABP7 O15540 1/20 0.37
▸ FABP5 Q01469 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
SCHEMBL13327274 0.81 POLB (0.52) POLBALDH1A1TSHRKMT2AMAPT
SCHEMBL22397770 0.81 POLB (0.52) POLBALDH1A1TSHRKMT2AMAPT
SCHEMBL10072968 0.80 MEN1 (0.51) HRH3ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL13533759 0.79 PANK3 (0.47) ALDH1A1KMT2ASMN1; SMN2CYP1A2DPP4
SCHEMBL12295621 0.77 HDAC1 (0.49) HRH3SMOALDH1A1TSHRKMT2A
SCHEMBL30134361 0.76 KMT2A (0.47) POLBALDH1A1TSHRKMT2AMAPT
SCHEMBL30014215 0.76 KMT2A (0.47) POLBALDH1A1TSHRKMT2AMAPT
SCHEMBL2710008 0.76 KMT2A (0.47) POLBALDH1A1TSHRKMT2AMAPT
SCHEMBL3219970 0.76 FABP5 (0.49) POLBALDH1A1TSHRKMT2AMAPT
SCHEMBL30555288 0.76 TSHR (0.50) POLBALDH1A1TSHRKMT2ASMN1; SMN2

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-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

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 HRH3 148/4885POLB 486/4885SMO 4724/4885

“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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