SCHEMBL14514175

SCHEMBL14514175

c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)c3)[nH]c2-c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.73
MAPK13 O15264 7/20 0.69
MAPK12 P53778 7/20 0.69
MAPK11 Q15759 7/20 0.69
MAPK14 Q16539 7/20 0.69
RAF1 P04049 5/20 0.69
MAPK9 P45984 1/20 0.69
GCGR P47871 2/20 0.67
NOX1 Q9Y5S8 3/20 0.61
MAPT P10636 3/20 0.60
MGAM O43451 1/20 0.60
TP53 P04637 1/20 0.60
THRB P10828 1/20 0.60
SMPD3 Q9NY59 1/20 0.59
BRAF P15056 1/20 0.59
BRDT Q58F21 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58

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
Benzene SCHEMBL28852698 0.90 MAPK13 (0.82) PTPN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL104130 0.90 MAPK13 (0.82) PTPN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5074753 0.88 MAPK13 (0.83) PTPN1MAPK13MAPK12MAPK11MAPK14
Methane SCHEMBL3278320 0.88 MAPK13 (0.79) PTPN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL27850480 0.88 MAPK13 (0.79) PTPN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL14002078 0.88 MAPK14 (0.67) PTPN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL28819760 0.88 PTPN1 (0.64) PTPN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1068914 0.88 PTPN1 (0.94) PTPN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29741448 0.88 PTPN1 (0.64) PTPN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL739928 0.88 MAPK13 (0.72) PTPN1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112061-A1 Heat- or singlet oxygen-generating agents and cancer treatment compositions comprising organic peroxide or chemiluminescent compound MANAC INC. (JP) 2007-05-17 US disclosed
US-20070112061-A1 Heat- or singlet oxygen-generating agents and cancer treatment compositions comprising organic peroxide or chemiluminescent compound MANAC INC. (JP) 2007-05-17 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-20070112061-A1 Heat- or singlet oxygen-generating agents and cancer treatment compositions comprising organic peroxide or chemiluminescent compound HSPE1, MCL1, HMOX1 PTPN1 3399/4885MAPK13 1707/4885MAPK12 861/4885

“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.