SCHEMBL4823145

SCHEMBL4823145

C(=N/N(c1ccccc1)c1ccccc1)\c1ccc2c(c1)c1cc(/C=N/N(c3ccccc3)c3ccccc3)ccc1n2CC1CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 6/20 0.47
DHFR P00374 1/20 0.44
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
KDM4E B2RXH2 4/20 0.39
HTT P42858 3/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 5/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL4820619 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4814020 0.96 DHFR (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4814026 0.96 DHFR (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL332438 0.78 KDM4E (0.66) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL29709939 0.78 KDM4E (0.66) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL170206 0.78 KDM4E (0.66) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14254907 0.77 KDM4E (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4832507 0.77 KDM4E (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL13329109 0.76 KDM4E (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9192246 0.76 KDM4E (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445877-B2 Charge transport materials having a central disulfane linkage SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-11-04 US disclosed
US-7326506-B2 Bridged charge transport materials having a central sulfur atom linkage SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-02-05 US disclosed
EP-1600821-B1 Bridged charge transport materials having a central sulfur atom linkage SAMSUNG ELECTRONICS CO LTD (KR) 2007-02-28 EP disclosed
US-20050277038-A1 Charge transport materials having a central disulfane linkage S-PRINTING SOLUTION CO., LTD. (KR) 2005-12-15 US disclosed
US-20050266329-A1 Bridged charge transport materials having a central sulfur atom linkage S-PRINTING SOLUTION CO., LTD. (KR) 2005-12-01 US disclosed
EP-1600821-A1 Bridged charge transport materials having a central sulfur atom linkage Samsung Electronics Co., Ltd. (KR) 2005-11-30 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-20050266329-A1 Bridged charge transport materials having a central sulfur atom linkage NR2E3, NR4A2, NR2C2 CYP1A2 1860/4885CYP3A4 1885/4885CYP2D6 3226/4885

“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.