SCHEMBL698648

SCHEMBL698648

CC(=O)N1CCCc2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.62
PDK1 Q15118 1/20 0.60
PDK2 Q15119 1/20 0.60
PDK3 Q15120 1/20 0.60
PDK4 Q16654 1/20 0.60
TP53 P04637 1/20 0.58
HSD17B3 P37058 2/20 0.56
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
IDO1 P14902 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP11B2 P19099 1/20 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
SCHEMBL30021086 0.90 NOTUM (0.69) NOTUMTP53HSD17B3ALDH1A1IDO1
SCHEMBL397314 0.90 NOTUM (0.69) NOTUMTP53HSD17B3ALDH1A1IDO1
SCHEMBL29620859 0.88 NOTUM (0.62) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL594384 0.88 NOTUM (0.62) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL28498038 0.86 PDK1 (0.61) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8231436 0.85 CYP11B1 (0.56) NOTUMTP53HSD17B3ALDH1A1LMNA
SCHEMBL19657374 0.84 PDK1 (0.53) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL5413736 0.84 KDM4E (0.72) PDK1PDK2PDK3PDK4TSHR
SCHEMBL30039800 0.84 KDM4E (0.72) PDK1PDK2PDK3PDK4TSHR
SCHEMBL29082759 0.83 PDK1 (0.59) PDK1PDK2PDK3PDK4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-4495353-A ETHERIFICATION OF A HALOAROMTIC COMPOUND STERLING DRUG INC. (US) 1985-01-22 US claimed
US-20260125367-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS REMEDY PLAN, INC. (US) 2026-05-07 US disclosed
US-12522587-B2 Cancer treatments targeting cancer stem cells REMEDY PLAN, INC. (US) 2026-01-13 US disclosed
WO-2025215579-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2025-10-16 WO disclosed
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds PFIZER INC. (US) 2025-10-16 US disclosed
CN-119775198-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-04-08 CN disclosed
CN-112312899-B Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2024-11-22 CN disclosed
EP-4067347-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2024-06-19 EP disclosed
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
EP-1803455-A1 N-thiazol-2-yl-benzamide derivatives H.Lundbeck A/S (DK) 2007-07-04 EP disclosed
EP-1682129-B1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2007-02-21 EP disclosed
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
US-4495353-A ETHERIFICATION OF A HALOAROMTIC COMPOUND STERLING DRUG INC. (US) 1985-01-22 US disclosed
EP-0057321-B1 PROCESSES FOR SUBSTITUTION OF AROMATIC ORGANIC COMPOUNDS STERWIN AG. (CH) 1984-03-21 EP disclosed
US-4422955-A REPLACING HALOGEN ATOM ATTACHED TO RING WITH ALKOXY-TYPE SUBSTITUENT USING AS CATALYST A FORMIC ACID ESTER AND A CUPROUS SALT STERLING DRUG INC. (US) 1983-12-27 US disclosed
EP-0057321-A1 Processes for substitution of aromatic organic compounds STERWIN AG. (CH) 1982-08-11 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 (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-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES ADORA2A, ADORA3, ADORA1 NOTUM 4253/4885PDK1 2126/4885PDK2 1144/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 NOTUM 4253/4885PDK1 2126/4885PDK2 1144/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NOTUM 173/4885PDK1 910/4885PDK2 1522/4885
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds HRH4, HNMT, NNT NOTUM 1218/4885PDK1 2750/4885PDK2 2991/4885
US-20260125367-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS MCL1, MALT1, BCL6 NOTUM 2860/4885PDK1 811/4885PDK2 1272/4885

“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.