SCHEMBL3776189

SCHEMBL3776189

CC(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.59
HDAC6 Q9UBN7 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 4/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 4/20 0.46
KMT2A Q03164 3/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL3776194 0.86 HDAC6 (0.66) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL14723284 0.85 HDAC6 (0.44) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL27553512 0.84 KDM4E (0.45) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL5947 0.84 KDM4E (0.53) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL1873286 0.83 RAB9A (0.54) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL2725218 0.82 HDAC6 (0.49) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL476588 0.82 AR (0.52) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL5770245 0.82 HDAC6 (0.49) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9928726 0.82 KDM4E (0.51) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL12647585 0.81 CTNNB1 (0.51) SLC2A1HDAC6SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981920-B2 Inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-07-20 US disclosed
US-9684238-B2 Fluorene-type compound, photopolymerization initiator comprising said fluorene-type compound, and photosensitive composition containing said photopolymerization initiator TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-20 US disclosed
US-9684238-B2 Fluorene-type compound, photopolymerization initiator comprising said fluorene-type compound, and photosensitive composition containing said photopolymerization initiator TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-20 US disclosed
WO-2015200619-A1 INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2015-12-30 WO disclosed
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
US-20150259321-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR DAITO CHEMIX CORPORATION (JP) 2015-09-17 US disclosed
EP-2913323-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR Daito Chemix Corporation (JP) 2015-09-02 EP disclosed
EP-2676958-B1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-01 EP disclosed
US-8759539-B2 Substituted bicyclic amines for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
WO-2009027475-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2009-03-05 WO disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 US disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 US disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 WO disclosed
US-4960783-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0325802-A1 Use of benzimidazole derivatives as operating capacity promotors BAYER AG (DE) 1989-08-02 EP disclosed
US-3986878-A SILVER HALIDE PHOTOGRAPHIC EMULSION FUJI PHOTO FILM CO., LTD. (JA) 1976-10-19 US disclosed
US-3985563-A Silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1976-10-12 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 (4 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-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 SLC2A1 4089/4885HDAC6 4/4885SMN1; SMN2 1222/4885
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl SCN1B, CACNA1B, SCN2A SLC2A1 2679/4885HDAC6 140/4885SMN1; SMN2 118/4885
US-20150259321-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR AFF1, AFF2, FTO SLC2A1 4349/4885HDAC6 3742/4885SMN1; SMN2 3169/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B SLC2A1 1670/4885HDAC6 576/4885SMN1; SMN2 3548/4885

“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.