SCHEMBL1620119

SCHEMBL1620119

COc1ccc(F)c(CO)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MCL1 Q07820 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL1620453 0.85 LMNA (0.38) CYP3A4LMNAKDM4EMAPTALOX15
SCHEMBL18978995 0.84 LMNA (0.39) CYP3A4LMNAMAPK1MEN1KMT2A
SCHEMBL4399022 0.82 ROCK2 (0.38) LMNAMAPK1MEN1KMT2AHTT
SCHEMBL31719480 0.82 ROCK2 (0.38) LMNAMAPK1MEN1KMT2AHTT
SCHEMBL1619127 0.82 TNKS2 (0.46) CYP3A4LMNAKDM4EMAPTALOX15
SCHEMBL4403825 0.79 HTR2A (0.41) LMNAMAPTMAPK1ALDH1A1HPGD
SCHEMBL3105557 0.78 HTR2A (0.41) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL2171643 0.77 ERN1 (0.51) CYP3A4LMNAKDM4EMAPTALOX15
SCHEMBL31482703 0.77 ERN1 (0.51) CYP3A4LMNAKDM4EMAPTALOX15
SCHEMBL22331222 0.76 CA2 (0.41) LMNAMAPK1ALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
CN-101405275-B Triazolone Derivatives EISAI R&D MAN CO LTD 2011-11-09 CN disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
CN-101405275-A Triazolone Derivatives EISAI R&D MAN CO LTD (JP) 2009-04-08 CN disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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 (3 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-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 CYP3A4 245/4885LMNA 2146/4885KDM4E 3911/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 CYP3A4 261/4885LMNA 1872/4885KDM4E 3728/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 CYP3A4 182/4885LMNA 1245/4885KDM4E 3720/4885

“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.