SCHEMBL15544799

SCHEMBL15544799

O=Cc1ccc(N(N=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.43
USP2 O75604 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
PSMD14 O00487 1/20 0.43
APAF1 O14727 1/20 0.43
MMP2 P08253 1/20 0.43
RAD52 P43351 1/20 0.43
CASP6 P55212 1/20 0.43
UBE2N P61088 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 7/20 0.42

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
SCHEMBL15600317 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15600206 0.93 CYP2A6 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15600374 0.93 CYP2A6 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15600309 0.93 CYP2A6 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL332093 0.91 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL332094 0.91 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14518164 0.86 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10105967 0.86 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL851178 0.84 ALDH1A1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13649928 0.84 ALDH1A1 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9831042-B2 Organic dyes comprising a hydrazone moiety and their use in dye-sensitized solar cells BASF SE (DE) 2017-11-28 US disclosed
US-20160126022-A1 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BASF SE (DE) 2016-05-05 US disclosed
EP-2870204-A2 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BASF SE (DE) 2015-05-13 EP disclosed
WO-2014006544-A2 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BASF SE (DE) 2014-01-09 WO 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-20160126022-A1 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS C1S, C9, C1R CYP1A2 341/4885CYP3A4 389/4885CYP2D6 267/4885

“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.