SCHEMBL16426689

SCHEMBL16426689

COC1=C(O)/C(=N\c2ccc(N)cc2)C=C(Nc2ccc(N)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.43
▸ RAB9A P51151 9/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ APAF1 O14727 4/20 0.40
▸ BLM P54132 4/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ NR4A1 P22736 1/20 0.37
▸ MAPT P10636 7/20 0.36
▸ MAPK1 P28482 7/20 0.36
▸ L3MBTL1 Q9Y468 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ TDP1 Q9NUW8 5/20 0.36
▸ LMNA P02545 5/20 0.36
▸ POLB P06746 4/20 0.36
▸ THRB P10828 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 3/20 0.36

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
SCHEMBL16426683 0.90 RAB9A (0.48) IDO1RAB9ANPC1MEN1KMT2A
SCHEMBL15020213 0.88 IDO1 (0.45) IDO1RAB9ANPC1MEN1KMT2A
SCHEMBL15020218 0.88 IDO1 (0.45) IDO1RAB9ANPC1MEN1KMT2A
SCHEMBL1146673 0.84 APAF1 (0.37) RAB9ANPC1MEN1KMT2AAPAF1
SCHEMBL1146671 0.84 APAF1 (0.37) RAB9ANPC1MEN1KMT2AAPAF1
SCHEMBL1146816 0.81 APAF1 (0.38) RAB9ANPC1MEN1KMT2AAPAF1
SCHEMBL1146813 0.81 APAF1 (0.38) RAB9ANPC1MEN1KMT2AAPAF1
SCHEMBL15020256 0.80 IDO1 (0.37) IDO1RAB9ANPC1MEN1KMT2A
SCHEMBL15020258 0.80 IDO1 (0.37) IDO1RAB9ANPC1MEN1KMT2A
SCHEMBL16426056 0.80 IDO1 (0.37) IDO1RAB9ANPC1MEN1KMT2A

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 IDO1 264/4885RAB9A 3779/4885NPC1 4606/4885

“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.

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