SCHEMBL16369055

SCHEMBL16369055

CCCOC1=C/C(=N/c2ccc(O)cc2)C(N)=CC1=N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.42
▸ NR5A1 Q13285 1/20 0.36
▸ MGAM O43451 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ SI P14410 3/20 0.34
▸ MGAM2 Q2M2H8 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ESR1 P03372 4/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL15017930 0.96 LTA4H (0.41) LTA4HNR5A1MGAMGAASI
SCHEMBL15017928 0.96 LTA4H (0.41) LTA4HNR5A1MGAMGAASI
SCHEMBL15018593 0.94 NR5A1 (0.46) LTA4HNR5A1GAACYP2C9CYP1A2
SCHEMBL15018591 0.94 NR5A1 (0.46) LTA4HNR5A1GAACYP2C9CYP1A2
SCHEMBL15037507 0.92 NR5A1 (0.48) LTA4HNR5A1GAACYP1A2CYP2C19
SCHEMBL20853536 0.92 NR5A1 (0.48) LTA4HNR5A1GAACYP1A2CYP2C19
SCHEMBL15018839 0.90 LTA4H (0.38) LTA4HNR5A1CYP2C9CYP1A2CYP2C19
SCHEMBL15018842 0.90 LTA4H (0.38) LTA4HNR5A1CYP2C9CYP1A2CYP2C19
SCHEMBL15037462 0.89 CYP19A1 (0.30) MGAMGAASIMGAM2CYP19A1
SCHEMBL16369060 0.89 MEN1 (0.36) GAACYP2C9CYP1A2CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791250-B1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF OREAL (FR) 2019-04-03 — — EP disclosed
US-9226883-B2 Particular azomethine direct dyes, dye composition comprising at least one such compound, implementation process therefore and use thereof L'OREAL (FR) 2016-01-05 — — US disclosed
US-9226883-B2 Particular azomethine direct dyes, dye composition comprising at least one such compound, implementation process therefore and use thereof L'OREAL (FR) 2016-01-05 — — US disclosed
US-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2015-01-01 — — US disclosed
US-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2015-01-01 — — 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-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF KRT18, IK, MKI67 LTA4H 2791/4885NR5A1 485/4885MGAM 2452/4885

“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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