SCHEMBL3090308

SCHEMBL3090308

CC(C)(C)[Si](OCc1c[nH]cc1C#N)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.33
FFAR1 O14842 1/20 0.31
SLC22A12 Q96S37 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL875043 0.75 SMYD2 (0.35) SMYD2FFAR1
SCHEMBL12151761 0.73 SMYD2 (0.34) SMYD2KDM4EALDH1A1
SCHEMBL3544323 0.72 PTGER4 (0.33) SMYD2
SCHEMBL7791522 0.72 NAAA (0.33) SLC22A12
SCHEMBL14183240 0.71 SMYD2 (0.33) SMYD2
SCHEMBL3879562 0.71 SMYD2 (0.33) SMYD2
SCHEMBL1314001 0.70 AGXT (0.42) SMYD2ALDH1A1
SCHEMBL11937489 0.70 TSHR (0.48) FFAR1KDM4E
SCHEMBL4822404 0.70 PDCD1 (0.34) SMYD2
SCHEMBL9566297 0.70 IDO1 (0.33) SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
CN-101679244-B 5-membered heterocyclic derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL 2014-01-01 CN disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
CN-101679244-A 5-membered heterocyclic derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL 2010-03-24 CN disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 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 (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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 SMYD2 478/4885FFAR1 1557/4885SLC22A12 259/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO SMYD2 1092/4885FFAR1 1549/4885SLC22A12 504/4885

“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.