SCHEMBL14656709

SCHEMBL14656709

CC(C)(C)[Si](C)(C)Oc1ccc(Nc2cc(C#N)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 0.49
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ IDO1 P14902 3/20 0.42
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ VCAM1 P19320 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.36

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
SCHEMBL14656669 0.81 KDM4E (0.43) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL28073085 0.79 MERTK (0.60) MERTKRAB9AKMT2AMEN1IDO1
SCHEMBL16467813 0.78 GSK3B (0.46) RAB9AKMT2AMEN1MAPTMAPK1
SCHEMBL2330180 0.78 MERTK (0.60) MERTKKMT2AMEN1IDO1MAPT
SCHEMBL3995507 0.77 HTT (0.45) MERTKRAB9AKMT2AMEN1NPC1
SCHEMBL17582826 0.76 MERTK (0.60) MERTKRAB9AKMT2AMEN1MAPT
SCHEMBL11901853 0.76 TDP1 (0.59) MERTKKMT2AMEN1IDO1MAPT
SCHEMBL29642899 0.74 MERTK (0.54) MERTKRAB9AKMT2AMEN1NPC1
SCHEMBL16411606 0.74 SLC2A1 (0.44) KMT2AMEN1MAPTALDH1A1
SCHEMBL17940769 0.74 MERTK (0.54) MERTKRAB9AKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565185-A1 [5,6]HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-06 — — EP disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 — — 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 (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-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND BMP2, BMP4, SOST MERTK 4536/4885RAB9A 2636/4885KMT2A 1945/4885

“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.

Send feedback