SCHEMBL15315667

SCHEMBL15315667

Cc1cc(NC2=CC(=Nc3ccc(N)cc3C)C(N)=CC2=O)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TSHR P16473 1/20 0.33
▸ SIGMAR1 Q99720 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30

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
SCHEMBL10046646 0.83 SIGMAR1 (0.42) ALDH1A1CYP3A4TDP1SIGMAR1KDM4E
SCHEMBL10046785 0.83 CYP3A4 (0.40) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL15315668 0.81 TSHR (0.41) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL15315666 0.78 SIGMAR1 (0.40) ALDH1A1ALOX15SIGMAR1KDM4EMEN1
SCHEMBL15020225 0.75 CYP3A4 (0.41) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL15020227 0.75 CYP3A4 (0.41) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL15039680 0.75 CYP3A4 (0.41) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL10046786 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL10046653 0.71 DNM1 (0.41) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL15039505 0.71 DNM1 (0.41) ALDH1A1CYP3A4ALOX15TDP1KDM4E

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-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE L'OREAL (FR) 2013-10-17 — — US disclosed
US-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE L'OREAL (FR) 2013-10-17 — — 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-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE ADH1C, ADH1A, ADH5 ALDH1A1 9/4885CYP3A4 152/4885THRB 4834/4885

“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.

Send feedback