SCHEMBL13422643

SCHEMBL13422643

C[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](C)c3)C(=O)c3ccccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.45
USP2 O75604 1/20 0.45
CES1 P23141 4/20 0.43
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
P2RX4 Q99571 2/20 0.35
TTR P02766 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
CTRB1 P17538 1/20 0.34
BRAF P15056 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNN4 O15554 1/20 0.33
KCNA3 P22001 1/20 0.33
PABPC1 P11940 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21282111 0.90 SMN1; SMN2 (0.46) NNMTUSP2CES1APOBEC3AAPOBEC3G
SCHEMBL24141267 0.89 CES1 (0.40) NNMTUSP2CES1APOBEC3AAPOBEC3G
SCHEMBL25715295 0.87 NNMT (0.35) NNMTUSP2CES1APOBEC3AAPOBEC3G
SCHEMBL21282117 0.86 ALDH1A1 (0.37) NNMTUSP2CES1APOBEC3AAPOBEC3G
SCHEMBL21282102 0.85 CES1 (0.46) USP2CES1APOBEC3AAPOBEC3GP2RX4
SCHEMBL21282133 0.83 CES1 (0.44) USP2CES1P2RX4ACHECTRB1
SCHEMBL25712850 0.81 NNMT (0.31) NNMTUSP2CES1
SCHEMBL21282131 0.81 P2RX4 (0.51) USP2CES1P2RX4BCHEACHE
SCHEMBL25712152 0.79 KCNN4 (0.48) USP2CES1P2RX4BCHESMN1; SMN2
SCHEMBL21282089 0.78 CES1 (0.40) USP2CES1APOBEC3AAPOBEC3GSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193038-A1 METHODS OF DIGITAL PRINTING USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2023-06-22 US disclosed
US-20230193038-A1 METHODS OF DIGITAL PRINTING USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2023-06-22 US disclosed
US-20210403718-A1 Modified Indigo Compounds and Methods of Dyeing a Substrate Using a Modified Indigo Compound THE H.D. LEE COMPANY, INC. (US) 2021-12-30 US disclosed
US-11208559-B2 Modified indigo compounds and methods of dyeing a substrate using a modified indigo compound THE H.D. LEE COMPANY, INC. (US) 2021-12-28 US disclosed
US-20210189643-A1 FOAM DYEING METHODS USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2021-06-24 US disclosed
US-20190256710-A1 MODIFIED INDIGO COMPOUNDS AND METHODS OF DYEING A SUBSTRATE USING A MODIFIED INDIGO COMPOUND JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-08-22 US disclosed
US-7670390-B2 Use of latent pigments for high-remanence dyeing, composition containing the said pigments and processes using them L'OREAL S.A. (FR) 2010-03-02 US disclosed
US-20080172806-A1 USE OF LATENT PIGMENTS FOR HIGH-REMANENCE DYEING, COMPOSITION CONTAINING THE SAID PIGMENTS AND PROCESSES USING THEM L'OREAL 2008-07-24 US disclosed
US-7326255-B2 Use of latent pigments for high-remanence dyeing, composition containing the said pigments and processes using them L'OREAL S.A. (FR) 2008-02-05 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-20080172806-A1 USE OF LATENT PIGMENTS FOR HIGH-REMANENCE DYEING, COMPOSITION CONTAINING THE SAID PIGMENTS AND PROCESSES USING THEM KRT18, LMNA, CRYZ NNMT 2682/4885USP2 2405/4885CES1 1184/4885

“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.