SCHEMBL1619701

SCHEMBL1619701

CCOc1cc(Br)cc2c1OCOC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.49
DHFR P00374 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AOC3 Q16853 1/20 0.33
ESR1 P03372 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
AR P10275 1/20 0.32
IGF1R P08069 1/20 0.32

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
SCHEMBL10656432 0.83 SMPD1 (0.40) SMPD1DHFRMEN1KMT2AMAPT
SCHEMBL1620461 0.83 SMPD1 (0.39) SMPD1MEN1KMT2AMAPTALDH1A1
SCHEMBL2629669 0.78 KDM4E (0.43) SMPD1MEN1KMT2AMAPTTDP1
SCHEMBL1620477 0.78 SMPD1 (0.45) SMPD1MEN1KMT2AMAPTMAPK1
SCHEMBL5383789 0.78 DHFR (0.50) DHFRMEN1KMT2AMAPTMAPK1
SCHEMBL10653995 0.75 SMPD1 (0.36) SMPD1DHFRMEN1KMT2AAOC3
SCHEMBL1618788 0.74 SMPD1 (0.39) SMPD1MEN1KMT2AMAPTALDH1A1
SCHEMBL11854113 0.73 ALDH1A1 (0.38) SMPD1MEN1KMT2AMAPTTDP1
SCHEMBL29914938 0.71 KDM4E (0.41) SMPD1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL27002518 0.71 KDM4E (0.41) SMPD1KMT2AMAPTSMN1; SMN2KDM4E

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
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
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
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 SMPD1 4835/4885DHFR 3034/4885MEN1 159/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 SMPD1 4837/4885DHFR 3186/4885MEN1 243/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 SMPD1 4730/4885DHFR 3550/4885MEN1 335/4885

“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.