SCHEMBL1621804

SCHEMBL1621804

COc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALKBH1 Q13686 1/20 0.38
DRD4 P21917 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL29649556 0.85 ALDH1A1 (0.50) ABCB1ABCG2
SCHEMBL26015871 0.85 ALDH1A1 (0.50) ABCB1ABCG2
SCHEMBL1621417 0.79 FGFR1 (0.33) SMN1; SMN2ABCB1HTT
SCHEMBL1620763 0.78 ERN1 (0.36) LMNA
SCHEMBL5781161 0.78 ENPP2 (0.34) SMN1; SMN2ABCB1LMNAHTT
SCHEMBL1314001 0.76 AGXT (0.42) SMN1; SMN2LMNAHTT
SCHEMBL501339 0.76 TACR1 (0.32) SMN1; SMN2LMNAHTT
SCHEMBL5782201 0.76 ABCB1 (0.43) SMN1; SMN2ABCB1
SCHEMBL4038060 0.76 PDE4B (0.35) SMN1; SMN2ABCB1
SCHEMBL26978213 0.76 FFAR1 (0.49)

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 SMN1; SMN2 3953/4885ALKBH1 3350/4885DRD4 85/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 SMN1; SMN2 4234/4885ALKBH1 3410/4885DRD4 117/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 SMN1; SMN2 3935/4885ALKBH1 4063/4885DRD4 1312/4885

“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.