SCHEMBL16426663

SCHEMBL16426663

CC1=C(O)/C(=N\c2ccc(N)cc2)C(C)=C(Nc2ccc(N)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 5/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ ELAVL1 Q15717 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ NR4A1 P22736 1/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL15036775 0.89 MAPT (0.38) GAARAB9AMEN1KMT2AMAPT
SCHEMBL15020261 0.80 GAA (0.33) GAARAB9AMEN1KMT2AMAPT
SCHEMBL16426660 0.80 GAA (0.33) GAARAB9AMEN1KMT2AMAPT
SCHEMBL15020263 0.80 GAA (0.33) GAARAB9AMEN1KMT2AMAPT
SCHEMBL16413544 0.78 ALDH1A1 (0.39) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL16413542 0.78 ALDH1A1 (0.39) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL16426684 0.78 ALDH1A1 (0.39) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL16426668 0.78 ALDH1A1 (0.39) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL1146673 0.76 APAF1 (0.37) GAARAB9AMEN1KMT2AMAPT
SCHEMBL1146671 0.76 APAF1 (0.37) GAARAB9AMEN1KMT2AMAPT

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-9439844-B2 Tri-aromatic azomethine direct dyes comprising at least one unit derived from resorcinol, dyeing composition, method and use L'OREAL (FR) 2016-09-13 — — US disclosed
US-20150027483-A1 TRI-AROMATIC AZOMETHINE DIRECT DYES COMPRISING AT LEAST ONE UNIT DERIVED FROM RESORCINOL, DYEING COMPOSITION, METHOD AND USE L'OREAL (FR) 2015-01-29 — — 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-20150027483-A1 TRI-AROMATIC AZOMETHINE DIRECT DYES COMPRISING AT LEAST ONE UNIT DERIVED FROM RESORCINOL, DYEING COMPOSITION, METHOD AND USE KRT18, IK, MKI67 GAA 4346/4885RAB9A 3779/4885MEN1 2291/4885

“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