SCHEMBL12372897

SCHEMBL12372897

c1csc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(-c8cccs8)cc7)c7ccc(-c8cccs8)cc7)cc6)s5)s4)cc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.51
LTA4H P09960 2/20 0.47
DPP4 P27487 4/20 0.43
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL13197641 0.96 APP (0.51) APPLTA4HDPP4CYP17A1CYP11B1
SCHEMBL2864395 0.96 APP (0.51) APPLTA4HDPP4CYP17A1CYP11B1
SCHEMBL12180504 0.91 APP (0.59) APPLTA4HDPP4MAPTKDM4E
SCHEMBL12180541 0.91 APP (0.59) APPLTA4HDPP4MAPTKDM4E
SCHEMBL8014120 0.90 LTA4H (0.55) APPLTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL2344484 0.90 LTA4H (0.55) APPLTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL18194039 0.90 CYP17A1 (0.53) APPLTA4HDPP4CYP17A1CYP11B1
SCHEMBL12893283 0.89 APP (0.46) APPLTA4HDPP4CYP17A1CYP11B1
SCHEMBL14565390 0.89 APP (0.46) APPLTA4HDPP4MAPTKDM4E
SCHEMBL14192249 0.88 LTA4H (0.53) APPLTA4HCYP17A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9112167-B2 Aromatic amine derivatives and organic electroluminescent device using same IDEMITSU KOSAN COMPANY, LIMITED (JP) 2015-08-18 US disclosed
US-9112167-B2 Aromatic amine derivatives and organic electroluminescent device using same IDEMITSU KOSAN COMPANY, LIMITED (JP) 2015-08-18 US disclosed
US-20140077200-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME SONY CORPORATION (JP) 2014-03-20 US disclosed
US-20140077200-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME SONY CORPORATION (JP) 2014-03-20 US disclosed
US-7998596-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998596-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-08-16 US disclosed
US-20080108832-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-05-08 US disclosed
US-20080108832-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-05-08 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-20080108832-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME ALKBH3, EML4, ALKBH2 APP 281/4885LTA4H 1751/4885DPP4 2795/4885

“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.