SCHEMBL960630

SCHEMBL960630

OCc1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
GAA P10253 2/20 0.52
PDPK1 O15530 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALDH1A1 P00352 2/20 0.48
IDO1 P14902 2/20 0.48
MAPK10 P53779 2/20 0.48
ALPL P05186 1/20 0.48
HPGD P15428 1/20 0.48
TTK P33981 1/20 0.48
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 1/20 0.44
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
YTHDC1 Q96MU7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP2K4 P45985 1/20 0.42
LRRK2 Q5S007 2/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL29562338 1.00 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL21591507 0.86 CYP1A2 (0.58) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL6450219 0.84 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4ALDH1A1
Tert-Butyl Formate SCHEMBL27926204 0.82 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL3839330 0.81 KDM4E (0.47) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL254885 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL16182225 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL702375 0.79 PRMT5 (0.61) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL2227955 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL960151 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 US disclosed
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO HEALTH, INC. (US) 2022-08-16 US disclosed
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 US disclosed
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 US disclosed
CN-112778203-B Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine 兰州交通大学 2022-02-15 CN disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
CN-112778203-A Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine 兰州交通大学 2021-05-11 CN disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 US disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 WO disclosed
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2005-01-13 US disclosed
EP-1442034-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS KDR PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2004-08-04 EP disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
WO-2003035644-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS KDR PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-05-01 WO disclosed
US-4008070-A ALKYL 5-HALO-1H-INDAZOLE-3-ACETATE NISSAN CHEMICAL INDUSTRIES CO., LTD. (JA) 1977-02-15 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 (8 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 KDM4E 2008/4885GAA 1101/4885PDPK1 3587/4885
US-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA KDM4E 2954/4885GAA 1372/4885PDPK1 258/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KDM4E 645/4885GAA 352/4885PDPK1 216/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 KDM4E 192/4885GAA 741/4885PDPK1 2650/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 KDM4E 192/4885GAA 741/4885PDPK1 2650/4885
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 KDM4E 192/4885GAA 741/4885PDPK1 2650/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 KDM4E 1001/4885GAA 3463/4885PDPK1 616/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 KDM4E 215/4885GAA 210/4885PDPK1 3692/4885

“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.