SCHEMBL415446

SCHEMBL415446

Cc1ccc2cc(C(=O)NC3(C(=O)O)CCCC3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
TACR2 P21452 16/20 0.51
CHRNA7 P36544 3/20 0.50

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
SCHEMBL5600846 0.85 CHRNA7 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5600774 0.83 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1837268 0.82 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10052926 0.76 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1839461 0.73 CTSL (0.48)
SCHEMBL121300 0.73 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31207866 0.69 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2250510 0.69 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3304077 0.69 HDAC1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3428350 0.69 CTSL (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102428081-B Process for the preparation of ibodutant (MEN15596) and related intermediates MALESCI SAS 2014-09-17 CN disclosed
US-8431684-B2 Process for the preparation of ibodutant (MEN15596) and related intermediates MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2013-04-30 US disclosed
US-8431684-B2 Process for the preparation of ibodutant (MEN15596) and related intermediates MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2013-04-30 US disclosed
US-8431684-B2 Process for the preparation of ibodutant (MEN15596) and related intermediates MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2013-04-30 US disclosed
EP-2432778-B1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI SAS (IT) 2013-03-20 EP disclosed
EP-2432778-B1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI SAS (IT) 2013-03-20 EP disclosed
CN-102428081-A Process for the preparation of ibodutant (MEN15596) and related intermediates MALESCI SAS 2012-04-25 CN disclosed
EP-2432778-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES Malesci Istituto Farmacobiologico S.p.a. (IT) 2012-03-28 EP disclosed
US-20120065370-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2012-03-15 US disclosed
US-20120065370-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2012-03-15 US disclosed
US-20120065370-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2012-03-15 US disclosed
WO-2010133306-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2010-11-25 WO disclosed
WO-2010133306-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2010-11-25 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-20120065370-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES DDT, BBOX1, IMPDH2 HDAC3 4688/4885HDAC4 4854/4885HDAC1 4611/4885

“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.