SCHEMBL5718628

SCHEMBL5718628

C[Si]1(C)C(c2cccnc2-c2ccccn2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccnc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.41
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 3/20 0.41
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HIF1A Q16665 3/20 0.39
HTT P42858 1/20 0.39
MITF O75030 1/20 0.39
TGFBR1 P36897 3/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
IDO1 P14902 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL7116753 0.82 KDM4E (0.46) NPY5RKDM4ENPC1CYP2A6SMN1; SMN2
SCHEMBL57318 0.79 KDM4E (0.50) NPY5RKDM4ENPC1CYP2A6SMN1; SMN2
SCHEMBL127151 0.79 KDM4E (0.56) NPY5RKDM4ENPC1CYP2A6SMN1; SMN2
SCHEMBL27504571 0.77 PTGS1 (0.49) NPY5RKDM4ENPC1CYP2A6SMN1; SMN2
Biphenyl SCHEMBL1363812 0.77 CYP2A6 (0.48) NPY5RKDM4ENPC1CYP2A6SMN1; SMN2
SCHEMBL6252273 0.77 KDM4E (0.41) NPY5RKDM4ENPC1CYP2A6SMN1; SMN2
SCHEMBL18385057 0.77 KDM4E (0.53) KDM4ENPC1CYP2A6SMN1; SMN2LMNA
SCHEMBL16189447 0.76 DHODH (0.37) KDM4ECYP2A6SMN1; SMN2LMNAHTT
SCHEMBL923479 0.76 PTGS1 (0.47) NPY5RKDM4ENPC1CYP2A6SMN1; SMN2
SCHEMBL17449595 0.76 HTR1A (0.43) NPY5RKDM4ENPC1CYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142895-B1 BORANE DERIVATIVES AND ORGANIC ELECTROLUMINESCENTS CHISSO CORP (JP) 2006-07-05 EP disclosed
EP-1113017-B1 SILOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE SAME CHISSO CORP (JP) 2005-12-21 EP disclosed
US-6767654-B2 COMPOUNDS WHICH INTRAMOLECULARLY CONTAIN BORON ATOMS HAVE UNIQUE OPTIC AND ELECTRONIC PROPERTIES PROBABLY OWING TO THE EXISTENCE OF THE EMPTY P ORBITAL OF THE BORON ATOM CHISSO CORPORATION (JP) 2004-07-27 US disclosed
US-20030152800-A1 ORGANIC ELECTROLUMINESCENT DEVICE JNC CORPORATION (JP) 2003-08-14 US disclosed
US-6376694-B1 Silole derivatives and organic electroluminescent element containing the same CHISSO CORPORATION (JP) 2002-04-23 US disclosed
EP-1142895-A1 BORANE DERIVATIVES AND ORGANIC ELECTROLUMINESCENTS CHISSO CORPORATION (JP) 2001-10-10 EP disclosed
EP-1113017-A1 SILOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE SAME CHISSO CORPORATION (JP) 2001-07-04 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-20030152800-A1 ORGANIC ELECTROLUMINESCENT DEVICE LEF1, ZYX, ELP1 NPY5R 720/4885KDM4E 1330/4885NPC1 1503/4885

“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.