SCHEMBL4031773

SCHEMBL4031773

c1ncc(-c2ccc3c(c2)OCO3)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
LMNA P02545 2/20 0.53
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
GAA P10253 2/20 0.49
PKM P14618 2/20 0.49
NOTUM Q6P988 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAP4K4 O95819 1/20 0.47
PTK2 Q05397 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL10768177 0.74 PKM (0.78) KDM4ELMNACYP11B1CYP11B2GAA
SCHEMBL26260196 0.74 CYP11B1 (0.85) LMNACYP11B1CYP11B2GAAPKM
SCHEMBL26260219 0.72 CYP11B1 (0.82) LMNACYP11B1CYP11B2GAAPKM
SCHEMBL9431911 0.71 KDM4E (0.68) KDM4ELMNAGAAPKMKMT2A
SCHEMBL2158739 0.71 KMT2A (0.75) LMNACYP11B1CYP11B2GAAPKM
SCHEMBL28533141 0.71 KDM4E (0.44) KDM4ELMNAGAAPKMKMT2A
SCHEMBL14108190 0.71 IMPDH2 (0.43) LMNACYP11B1CYP11B2GAAPKM
SCHEMBL22162812 0.71 CA12 (0.58) KDM4ELMNAKMT2AMEN1NPC1
SCHEMBL6923809 0.71 CA12 (0.54) KDM4ELMNACYP11B1CYP11B2GAA
SCHEMBL24309122 0.69 MAP4K4 (0.61) LMNACYP11B1CYP11B2GAAPKM

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 15 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-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-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
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
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
EP-1542994-A1 NOVEL TRIAZOLE AND OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-10 US disclosed
WO-2004026863-A1 NOVEL OXAZOLE AND THIAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 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 (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-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, TGFBR2, SMAD3 KDM4E 2073/4885LMNA 3237/4885CYP11B1 1722/4885
US-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE PAH, DDT, NISCH KDM4E 988/4885LMNA 4434/4885CYP11B1 363/4885

“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.