SCHEMBL121300

SCHEMBL121300

Cc1ccc2cc(C(=O)O)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.70
HDAC3 O15379 1/20 0.70
HDAC4 P56524 1/20 0.70
HDAC7 Q8WUI4 1/20 0.70
HDAC2 Q92769 1/20 0.70
HDAC10 Q969S8 1/20 0.70
HDAC11 Q96DB2 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
HDAC9 Q9UKV0 1/20 0.70
HDAC5 Q9UQL6 1/20 0.70
BCL2L1 Q07817 2/20 0.59
GPR35 Q9HC97 3/20 0.55
TBXAS1 P24557 1/20 0.49
OPRM1 P35372 1/20 0.47
CHRNA7 P36544 3/20 0.47
MCL1 Q07820 1/20 0.46
DAO P14920 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL17173215 0.86 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2801905 0.85 BCL2L1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2250510 0.84 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31207866 0.84 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24360345 0.84 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL120246 0.84 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10052926 0.82 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL464400 0.81 HDAC1 (0.64) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL153980 0.81 MEN1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL17842780 0.80 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431684-B2 Process for the preparation of ibodutant (MEN15596) and related intermediates MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2013-04-30 US claimed
EP-2432778-B1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI SAS (IT) 2013-03-20 EP claimed
EP-2432778-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES Malesci Istituto Farmacobiologico S.p.a. (IT) 2012-03-28 EP claimed
US-20120065370-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2012-03-15 US claimed
WO-2010133306-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2010-11-25 WO claimed
US-20080090795-A1 Pharmaceutical Compositions Based on Nk2 Antagonists for Pediatric Use LABORATORI GUIDOTTI S.P.A. (IT) 2008-04-17 US claimed
EP-1809267-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE Laboratori Guidotti S.P.A. (IT) 2007-07-25 EP claimed
US-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them MENARINI RICERCHE S.P.A. (IT) 2006-10-05 US claimed
WO-2006045820-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE LABORATORI GUIDOTTI S.P.A. (IT) 2006-05-04 WO claimed
EP-1620432-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2006-02-01 EP claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
WO-2004094412-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2004-11-04 WO claimed
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2026-01-29 US disclosed
US-20250346575-A1 ISOINDOLINONE DERIVATIVE HAVING GLUTARIMIDE MOTHER NUCLEUS, AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-11-13 US disclosed
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
WO-2006045820-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE LABORATORI GUIDOTTI S.P.A. (IT) 2006-05-04 WO disclosed
EP-1620432-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2006-02-01 EP disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US disclosed
WO-2004094412-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2004-11-04 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 (5 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 HDAC1 4611/4885HDAC3 4688/4885HDAC4 4854/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 HDAC1 867/4885HDAC3 2627/4885HDAC4 1767/4885
US-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them BDKRB2, KLK2, BDKRB1 HDAC1 1746/4885HDAC3 2663/4885HDAC4 1950/4885
US-20250346575-A1 ISOINDOLINONE DERIVATIVE HAVING GLUTARIMIDE MOTHER NUCLEUS, AND USE THEREOF CRBN, IDH1, IDH2 HDAC1 48/4885HDAC3 308/4885HDAC4 935/4885
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER LDHA, LDHB, SLC6A1 HDAC1 679/4885HDAC3 316/4885HDAC4 984/4885

“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.