SCHEMBL17774773

SCHEMBL17774773

CCC(C)Nc1ccc(N)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.44
▸ ALOX5 P09917 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ THRB P10828 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HSP90AA1 P07900 3/20 0.38
▸ GFER P55789 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL17774820 0.86 RPS6KB1 (0.47) ALOX5KDM4EALDH1A1GAAGLA
SCHEMBL17779329 0.85 ALOX5 (0.40) HCAR3ALOX5KDM4EALDH1A1GAA
SCHEMBL19788699 0.84 ALOX5 (0.49) HCAR3ALOX5KDM4EALDH1A1GAA
SCHEMBL10613997 0.80 MEN1 (0.49) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL3150541 0.79 HCAR3 (0.47) HCAR3KDM4EALDH1A1THRBKMT2A
SCHEMBL11447285 0.78 MAPT (0.39) KDM4EALDH1A1THRBMEN1KMT2A
SCHEMBL5264421 0.78 MITF (0.49) HCAR3ALOX5KDM4EALDH1A1GAA
SCHEMBL11447093 0.77 GFER (0.39) ALOX5KDM4EGAAMITFTHRB
SCHEMBL13450322 0.77 HSP90AA1 (0.47) HCAR3KDM4EALDH1A1GAAGLA
SCHEMBL19522711 0.75 TSHR (0.44) KDM4EALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 — — US disclosed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 — — US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 — — US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 — — 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR HCAR3 3519/4885ALOX5 195/4885KDM4E 1417/4885

“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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