SCHEMBL2632248

SCHEMBL2632248

CC(=O)c1cccc(F)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GRM4 Q14833 5/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSA P10619 2/20 0.41
LMNA P02545 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CYP1A2 P05177 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL455687 0.84 KDM4E (0.59) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL3552924 0.82 KDM4E (0.46) GRM4KDM4EALOX15TSHRACMSD
SCHEMBL6641842 0.81 KDM4E (0.56) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL27613793 0.81 KDM4E (0.56) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL29723811 0.80 KDM4E (0.70) GRM4KDM4EALOX15TSHRACMSD
SCHEMBL107964 0.80 KDM4E (0.70) GRM4KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL28930333 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL28026227 0.78 GRM4 (0.38) GRM4KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL11682457 0.78 KDM4E (0.67) GRM4KDM4EALOX15TSHRACMSD
SCHEMBL3956769 0.78 GRM4 (0.45) ALDH1A1GRM4KDM4EALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120051457-A Oxalic acid amide compound, pharmaceutical composition containing oxalic acid amide compound, preparation method and application of oxalic acid amide compound 四川科伦博泰生物医药股份有限公司 2025-05-27 CN disclosed
CN-118420523-A Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2024-08-02 CN disclosed
WO-2023110843-A1 HETEROBICYCLIC DERIVATIVES AS ITK INHIBITORS ALMIRALL, S.A. (ES) 2023-06-22 WO disclosed
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 US disclosed
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2022-01-13 US disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 WO disclosed
US-20200377474-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-12-03 US disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-9701635-B2 C-H fluorination of heterocycles with silver (II) fluoride THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-11 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 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 (7 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 ALDH1A1 1469/4885GRM4 1984/4885KDM4E 2299/4885
US-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 ALDH1A1 1060/4885GRM4 4054/4885KDM4E 526/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 ALDH1A1 1469/4885GRM4 1984/4885KDM4E 2299/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 ALDH1A1 1060/4885GRM4 4054/4885KDM4E 526/4885
US-20200377474-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF BRDT, BRD4, BRD3 ALDH1A1 1617/4885GRM4 1907/4885KDM4E 260/4885
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 ALDH1A1 149/4885GRM4 3695/4885KDM4E 1861/4885
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, SCN3A ALDH1A1 3205/4885GRM4 434/4885KDM4E 3391/4885

“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.