SCHEMBL18537362

SCHEMBL18537362

C[Si](C)(C)c1cnc(-c2cccc(Br)c2)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
IDO1 P14902 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
METAP2 P50579 1/20 0.43
BIRC5 O15392 1/20 0.41
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
GRM5 P41594 1/20 0.40
MAPT P10636 3/20 0.39

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
SCHEMBL17637120 0.85 LDHA (0.45) SMN1; SMN2RAB9ANPC1IDO1ALDH1A1
SCHEMBL18540376 0.83 IDO1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26606816 0.83 METAP2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22618053 0.81 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18540413 0.79 FGFR1 (0.37) SMN1; SMN2RAB9ANPC1METAP2MAOB
SCHEMBL17811398 0.79 DYRK1A (0.44) RAB9ANPC1IDO1METAP2DYRK1A
SCHEMBL18540389 0.76 TP53 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18537363 0.75 DYRK1A (0.37) RAB9ANPC1IDO1METAP2DYRK1A
SCHEMBL17027901 0.74 IDO1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16405289 0.74 NPC1 (0.46) SMN1; SMN2RAB9ANPC1IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2017-02-23 US disclosed
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2017-02-23 US disclosed
EP-3133078-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2017-02-22 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 (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-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 GABRA1 1707/4885GABRG2 2316/4885GABRB3 3140/4885

“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.