SCHEMBL4776430

SCHEMBL4776430

Cc1c(C)c(C=O)c2ccccc2c1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.44
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
ERN1 O75460 3/20 0.39
ALDH1A1 P00352 6/20 0.36
LMNA P02545 4/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3272269 0.81 PADI4 (0.48) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL5750183 0.81 PADI4 (0.52) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL538480 0.80 CYP1A2 (0.45) KDM4EALDH1A1LMNATSHRKMT2A
SCHEMBL30148931 0.80 CYP1A2 (0.45) KDM4EALDH1A1LMNATSHRKMT2A
SCHEMBL16582693 0.79 PADI4 (0.56) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL1666901 0.77 PADI4 (0.48) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL4164444 0.76 PADI4 (0.52) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL29802335 0.76 PADI4 (0.52) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL3268833 0.76 PADI4 (0.64) PADI4KDM4EERN1ALDH1A1LMNA
SCHEMBL9838922 0.74 PADI4 (0.45) PADI4KDM4ETHRBERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918671-B2 Multi-tone hair dyeing method in three steps HENKEL AG & CO. KGAA (DE) 2024-03-05 US claimed
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US claimed
US-6485529-B1 Agent and method for coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2002-11-26 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-7374583-B2 Cationic azacyanine dyes and coloring agents containing said dyes THE PROCTER & GAMBLE COMPANY (US) 2008-05-20 US disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
US-20070220685-A1 Cationic azacyanine dyes and coloring agents containing said dyes THE PROCTER & GAMBLE COMPANY (US) 2007-09-27 US disclosed
US-5626633-A Bulk dyeing of plastics BAYER AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
WO-1994024132-A1 TETRAHYDRO-PYRIDO-INDOLE ELI LILLY AND COMPANY (US) 1994-10-27 WO 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 (4 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 PADI4 1519/4885KDM4E 440/4885THRB 4437/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 PADI4 1451/4885KDM4E 649/4885THRB 1202/4885
US-11918671-B2 Multi-tone hair dyeing method in three steps TYR, HAO2, HAAO PADI4 1685/4885KDM4E 1526/4885THRB 2016/4885
US-20070220685-A1 Cationic azacyanine dyes and coloring agents containing said dyes KRT18, DNMT1, NUP205 PADI4 1098/4885KDM4E 354/4885THRB 4631/4885

“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.