SCHEMBL25001

SCHEMBL25001

CC(C)(C)C(Br)CNC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL2556795 0.80 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL2460635 0.76 CYP2D6 (0.52) CYP2D6CYP2C19TSHR
SCHEMBL3578430 0.75
SCHEMBL3391602 0.75
SCHEMBL2337647 0.74 CYP2D6 (0.50) CYP2D6CYP2C19ALDH1A1
SCHEMBL4745233 0.74 CYP2D6 (0.50) CYP2D6CYP2C19
SCHEMBL354239 0.74 CYP2D6 (0.50) CYP2D6CYP2C19ALDH1A1
SCHEMBL3899246 0.74 CYP2D6 (0.50) CYP2D6CYP2C19
SCHEMBL8200639 0.74
SCHEMBL15816508 0.74 CYP2C19 (0.55) CYP2D6CYP2C19ALDH1A1TSHRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565518-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-03-03 US disclosed
US-RE50643-E1 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2025-10-21 US disclosed
CN-120136896-A Disubstituted benzimidazole compound and application thereof 暨南大学 2025-06-13 CN disclosed
EP-4556469-A1 BENZAMIDE COMPOUNDS Recurium IP Holdings, LLC (US) 2025-05-21 EP disclosed
EP-3740487-B1 BENZAMIDE COMPOUNDS AS BCI INHIBITORS FOR THE TREATMENT OF HIV RECURIUM IP HOLDINGS LLC (US) 2025-01-08 EP disclosed
US-20240262867-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-08-08 US disclosed
US-12049521-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-07-30 US disclosed
US-20240180899-A1 BENZAMIDE COMPOUNDS RECURIUM IP HOLDINGS, LLC 2024-06-06 US disclosed
US-11813260-B1 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2023-11-14 US disclosed
US-11813259-B2 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2023-11-14 US disclosed
WO-2011124430-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-10-13 WO disclosed
US-20110166191-A1 3-(2-amino-ethyl)-5-(3-cyclohexyl-propylidene)-thiazolidine-2,4-dione and its derivatives as multiple signaling pathway inhibitors and for the treatment of cancer ZHANG SHIJUN 2011-07-07 US disclosed
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott BmbH & Co. KG (DE) 2011-05-05 US disclosed
EP-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 EP disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 WO disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 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 (11 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-12565518-B2 Hybrid cyclic libraries and screens thereof NOLC1, BCL6, CHP1 CYP2D6 2295/4885CYP2C19 4882/4885ALDH1A1 4448/4885
US-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 CYP2D6 57/4885CYP2C19 81/4885ALDH1A1 886/4885
US-11813259-B2 Benzamide compounds MKI67, TMBIM6, HDAC1 CYP2D6 1678/4885CYP2C19 408/4885ALDH1A1 81/4885
US-11813260-B1 Benzamide compounds MKI67, TMBIM6, HDAC1 CYP2D6 1678/4885CYP2C19 408/4885ALDH1A1 81/4885
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GOLT1B, SLC10A1, SUGT1 CYP2D6 337/4885CYP2C19 504/4885ALDH1A1 1730/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB CYP2D6 585/4885CYP2C19 783/4885ALDH1A1 1551/4885
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS CYP2D6 3014/4885CYP2C19 2856/4885ALDH1A1 2660/4885
US-20110166191-A1 3-(2-amino-ethyl)-5-(3-cyclohexyl-propylidene)-thiazolidine-2,4-dione and its derivatives as multiple signaling pathway inhibitors and for the treatment of cancer BRAF, MAP2K2, MAP2K1 CYP2D6 3272/4885CYP2C19 4207/4885ALDH1A1 1791/4885
US-12049521-B2 Hybrid cyclic libraries and screens thereof CACYBP, HSPBP1, PEBP1 CYP2D6 4132/4885CYP2C19 4741/4885ALDH1A1 4588/4885
US-20240180899-A1 BENZAMIDE COMPOUNDS MKI67, TMBIM6, HDAC1 CYP2D6 1678/4885CYP2C19 408/4885ALDH1A1 81/4885
US-20240262867-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF CACYBP, HSPBP1, PEBP1 CYP2D6 4132/4885CYP2C19 4741/4885ALDH1A1 4588/4885

“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.