SCHEMBL1733962

SCHEMBL1733962

Cc1ccc(C(O)c2cccc(C3OCCO3)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL1747313 0.78 RAB9A (0.32) ALDH1A1LMNA
SCHEMBL2535973 0.77 EPHX1 (0.39) CYP2C19KMT2A
SCHEMBL1680579 0.75 ALDH1A1 (0.35) HSD17B2TOP2ATOP2BALDH1A1LMNA
SCHEMBL6945986 0.73 TP53 (0.51) TOP2ATOP2BALDH1A1TP53MAPT
SCHEMBL8021420 0.72 ALDH1A1 (0.38) HSD17B2ALDH1A1LMNACYP2C19
SCHEMBL27796397 0.72 ALDH1A1 (0.38) ALDH1A1LMNAHPGDCYP2C19KMT2A
SCHEMBL4954787 0.70 GRIN2B (0.46) HSD17B2LMNA
SCHEMBL20825893 0.69 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL16148375 0.69 MEN1 (0.33) ALDH1A1LMNACYP2C19KMT2A
SCHEMBL2936663 0.69 MEN1 (0.33) ALDH1A1LMNACYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 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 (1 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-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 HSD17B2 1507/4885TOP2A 2586/4885TOP2B 3391/4885

“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.