SCHEMBL7124617

SCHEMBL7124617

COc1cccc(C)c1-c1ccc(N)cc1N.Cc1cccc(C)c1-c1ccc(N)cc1N.Cc1cccc(O)c1-c1ccc(N)cc1N.Nc1ccc(-c2ccc(N)c(N)c2)c(N)c1.Nc1ccc(-c2ccc(O)c(N)c2)c(N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.37
FYN P06241 8/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EGFR P00533 1/20 0.35
PIM1 P11309 1/20 0.35
APP P05067 1/20 0.35
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
RELA Q04206 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7121288 0.83 MEN1 (0.44) NR3C1MEN1KMT2AEGFRPIM1
SCHEMBL6011367 0.79 MEN1 (0.50) NR3C1MEN1KMT2AEGFRPIM1
SCHEMBL6011221 0.79 NR3C1 (0.45) NR3C1MEN1KMT2AALDH1A1MAPT
SCHEMBL6011175 0.76 CASP1 (0.47) MEN1KMT2AALDH1A1MAPT
SCHEMBL6573444 0.74 PDE10A (0.50) NR3C1FYNMEN1KMT2AEGFR
SCHEMBL6011444 0.74 FYN (0.51) FYNCHEK2ALDH1A1
SCHEMBL6011403 0.72 NR3C1 (0.48) NR3C1MEN1KMT2AAPPALDH1A1
SCHEMBL6011178 0.72 ALDH1A1 (0.52) MEN1KMT2AAPPALDH1A1MAPT
SCHEMBL6011308 0.70 TUBB4A (0.46) FYNMEN1KMT2AEGFRCHEK2
SCHEMBL6011357 0.70 ALDH1A1 (0.47) NR3C1MEN1KMT2AAPPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 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-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 NR3C1 4309/4885FYN 3077/4885MEN1 3507/4885

“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.