SCHEMBL1608673

SCHEMBL1608673

O=C(NCC(O)c1ccccc1)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PDPK1 O15530 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
APEX1 P27695 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PYGL P06737 2/20 0.53
FLT3 P36888 1/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL2735809 0.81 HDAC3 (0.55) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL2735806 0.81 HDAC3 (0.57) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL2735829 0.80 CA12 (0.68) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL2735795 0.79 PYGL (0.55) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL14071695 0.79 PYGL (0.55) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL2760032 0.79 PYGL (0.55) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL14071696 0.79 PYGL (0.55) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL2760052 0.79 PYGL (0.55) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL2735794 0.79 PYGL (0.55) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL17149890 0.78 PYGL (0.60) KDM4EPDPK1ALDH1A1LMNAHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086885-A1 Indole-2-carboxylic acid amides PROSIDION LIMITED (GB) 2011-04-14 US claimed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110086885-A1 Indole-2-carboxylic acid amides PROSIDION LIMITED (GB) 2011-04-14 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 US disclosed
WO-2008002674-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 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 (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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 KDM4E 1123/4885PDPK1 115/4885ALDH1A1 4474/4885
US-20110086885-A1 Indole-2-carboxylic acid amides IDO2, IDO1, CPT1A KDM4E 3063/4885PDPK1 1253/4885ALDH1A1 512/4885
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides PTK2B, GRK2, FRK KDM4E 2304/4885PDPK1 110/4885ALDH1A1 4443/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 KDM4E 2169/4885PDPK1 80/4885ALDH1A1 4720/4885

“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.