SCHEMBL345618

SCHEMBL345618

Nc1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.86
CYP3A4 P08684 6/20 0.86
MAPT P10636 6/20 0.86
TDP1 Q9NUW8 5/20 0.86
L3MBTL1 Q9Y468 4/20 0.86
KDM4E B2RXH2 2/20 0.86
CYP1A2 P05177 2/20 0.86
CYP2C9 P11712 2/20 0.86
CYP2C19 P33261 2/20 0.86
CYP2D6 P10635 1/20 0.86
HSD17B10 Q99714 2/20 0.64
TAAR1 Q96RJ0 1/20 0.64
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.46
RAB9A P51151 3/20 0.45
ALOX15 P16050 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7012980 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL13915193 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL7793770 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL14461271 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL3478291 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL69032 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL12714629 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL19139645 0.98 ALDH1A1 (0.82) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL13050027 0.98 ALDH1A1 (0.82) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL22328747 0.98 ALDH1A1 (0.82) ALDH1A1CYP3A4MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458182-B2 Silyl- and heteroatom-substituted compounds selected from carbazoles, dibenzofurans, dibenzothiophenes and dibenzophospholes, and use thereof in organic electronics BASF SE (DE) 2016-10-04 US disclosed
EP-2688889-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2014-01-29 EP disclosed
WO-2012130709-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-10-04 WO disclosed
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-19 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-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS DDT, CDKL1, CDK2 ALDH1A1 750/4885CYP3A4 1170/4885MAPT 1784/4885

“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.