SCHEMBL16005654

SCHEMBL16005654

CC(C)(C)C(=O)Oc1cccc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.49
ELANE P08246 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PABPC1 P11940 2/20 0.45
EIF4H Q15056 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ERN1 O75460 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.40
P2RX7 Q99572 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL6859446 0.85 FABP5 (0.46) FABP5MEN1KMT2APABPC1EIF4H
SCHEMBL2882948 0.83 MEN1 (0.54) FABP5MEN1KMT2APABPC1EIF4H
SCHEMBL2308927 0.81 FABP5 (0.53) FABP5MEN1KMT2APABPC1EIF4H
SCHEMBL19475149 0.80 FABP5 (0.49) FABP5MEN1KMT2APABPC1EIF4H
SCHEMBL28169221 0.79 FABP5 (0.49) FABP5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13609760 0.79 MEN1 (0.50) FABP5MEN1KMT2APABPC1EIF4H
SCHEMBL18674157 0.79 FABP5 (0.49) FABP5MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL9399464 0.78 SSTR4 (0.44) FABP5SMN1; SMN2SLC22A12LMNAMAPT
SCHEMBL7988100 0.78 KDM4E (0.61) FABP5MEN1KMT2APABPC1EIF4H
SCHEMBL10350646 0.77 LMNA (0.60) ELANEMEN1KMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2774923-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE UNIV NAGOYA NAT UNIV CORP (JP) 2016-05-18 EP disclosed
EP-2774923-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE UNIV NAGOYA NAT UNIV CORP (JP) 2016-05-18 EP disclosed
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 US disclosed
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 US disclosed
US-8993777-B2 Method for producing phenyl-substituted heterocyclic derivative NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-03-31 US disclosed
US-8993777-B2 Method for producing phenyl-substituted heterocyclic derivative NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-03-31 US disclosed
US-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-09-18 US disclosed
US-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-09-18 US disclosed
EP-2774923-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE National University Corporation Nagoya University (JP) 2014-09-10 EP disclosed
EP-2774923-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE National University Corporation Nagoya University (JP) 2014-09-10 EP 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 (2 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-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NISCH, DDT, TEC FABP5 2082/4885ELANE 1846/4885MEN1 1615/4885
US-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE PAH, DDT, NISCH FABP5 3780/4885ELANE 468/4885MEN1 338/4885

“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.