SCHEMBL443475

SCHEMBL443475

COC(=O)c1oc2ccccc2c1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.73
KCNH2 Q12809 1/20 0.63
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
HPGD P15428 2/20 0.57
POLB P06746 1/20 0.57
HIF1A Q16665 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GPR55 Q9Y2T6 1/20 0.56
AHR P35869 1/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL28810376 0.86 KCNH2 (0.63) KDM4EKCNH2ALDH1A1KMT2AMEN1
SCHEMBL1885241 0.85 KDM4E (1.00) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL28960619 0.85 KCNH2 (0.61) KDM4EKCNH2ALDH1A1KMT2AMEN1
SCHEMBL719242 0.83 KDM4E (0.78) KDM4EKCNH2ALDH1A1KMT2AMEN1
SCHEMBL23461860 0.83 KDM4E (0.69) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL2775867 0.83 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL9083963 0.83 KDM4E (0.69) KDM4EALDH1A1KMT2AHSD17B10SMN1; SMN2
SCHEMBL114250 0.80 KMT2A (0.60) KDM4EKCNH2ALDH1A1KMT2AMEN1
SCHEMBL442779 0.80 MCL1 (0.60) KDM4EKCNH2ALDH1A1KMT2AHSD17B10
SCHEMBL16905806 0.80 KDM4E (0.65) KDM4EALDH1A1KMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317185-B Benzo five-membered heterocyclic HPPD enzyme inhibitor or salt thereof, herbicide composition, preparation method and application 中国药科大学 2022-09-23 CN disclosed
CN-113527237-A Method for preparing abemostat, intermediate and preparation method of intermediate 上海工程技术大学 2021-10-22 CN disclosed
WO-2021143816-A1 FUSED IMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-07-22 WO disclosed
US-9186347-B1 Hydroxamates as therapeutic agents PHARMACYCLICS LLC (US) 2015-11-17 US disclosed
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS LLC 2015-11-12 US disclosed
CN-102391222-B As the hydroxamic acid ester of therapeutical agent PHARMACYCLICS INC. (US) 2015-10-21 CN disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. 2014-10-09 US disclosed
US-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 US disclosed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP disclosed
WO-2006042035-A2 METHOD OF MONITORING ANTI-TUMOR ACTIVITY OF AN HDAC INHIBITOR PHARMACYCLICS, INC. (US) 2006-04-20 WO disclosed
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 WO disclosed
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
WO-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AXYS PHARMACEUTICALS, INC. (US) 2005-08-25 US disclosed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US disclosed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 WO disclosed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 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 (6 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-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AADAC, HDAC3, HDAC4 KDM4E 471/4885KCNH2 1464/4885ALDH1A1 683/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KDM4E 561/4885KCNH2 4636/4885ALDH1A1 871/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KDM4E 561/4885KCNH2 4636/4885ALDH1A1 871/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 KDM4E 726/4885KCNH2 4072/4885ALDH1A1 429/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 KDM4E 2837/4885KCNH2 3941/4885ALDH1A1 653/4885
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels CACNA1D, ORAI1, CACNA1C KDM4E 3067/4885KCNH2 71/4885ALDH1A1 3826/4885

“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.