SCHEMBL3124135

SCHEMBL3124135

NC(=O)c1cccc2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.52
BAD Q92934 1/20 0.52
PARP1 P09874 3/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CXCR5 P32302 3/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TRPA1 O75762 1/20 0.45
AURKA O14965 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43

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
SCHEMBL3434922 0.96 PARP1 (0.51) BCL2L1BADPARP1ALOX15MAPK1
SCHEMBL29351721 0.96 PARP1 (0.51) BCL2L1BADPARP1ALOX15MAPK1
Hydrochloric Acid SCHEMBL30363549 0.94 PARP1 (0.50) BCL2L1BADPARP1ALOX15MAPK1
Trifluoroacetic Acid SCHEMBL3728778 0.89 CXCR5 (0.46) BCL2L1BADPARP1ALOX15MAPK1
SCHEMBL11006528 0.86 HTR7 (0.49) BCL2L1BADPARP1ALOX15MAPK1
SCHEMBL29493191 0.84 CXCR5 (0.56) BCL2L1BADALOX15CXCR5MEN1
SCHEMBL11814300 0.84 BCL2L1 (0.55) BCL2L1BADCXCR5MEN1KMT2A
SCHEMBL783869 0.84 CXCR5 (0.56) BCL2L1BADALOX15CXCR5MEN1
Methyl Benzoate SCHEMBL29069397 0.83 TSHR (0.50) CXCR5MEN1KMT2AL3MBTL1RXRA
SCHEMBL4516467 0.82 BCL2L1 (0.53) BCL2L1BADCXCR5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394068-A1 TDO2 INHIBITORS Genentech, Inc. (US) 2018-10-31 EP claimed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 WO claimed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO claimed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed
EP-4317162-B1 1,3-BENZODIOXOLANE-CONTAINING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF XIAN XINTONG PHARMACEUTICAL RES CO LTD (CN) 2026-02-04 EP disclosed
EP-4634152-A1 NOVEL BICYCLIC-CARBOXAMIDE COMPOUNDS USEFUL AS PESTICIDES Syngenta Crop Protection AG (CH) 2025-10-22 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed
EP-0430190-B1 New tricyclic compounds SYNTEX INC (US) 1995-07-05 EP disclosed
EP-0430190-A2 New tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1991-06-05 EP 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 (2 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 BCL2L1 1145/4885BAD 965/4885PARP1 811/4885
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 BCL2L1 3447/4885BAD 1069/4885PARP1 328/4885

“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.