SCHEMBL17774932

SCHEMBL17774932

CCCN(CCOC)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.38
▸ MAPT P10636 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ NR1I2 O75469 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ S100B P04271 1/20 0.35

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
SCHEMBL17779285 0.95 IKBKB (0.40) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL17774926 0.92 MAPT (0.36) CRHR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL17774935 0.90 IKBKB (0.42) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL17779284 0.90 IKBKB (0.36) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL17774973 0.85 IKBKB (0.39) CRHR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL17774952 0.85 S100B (0.46) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL17779227 0.84 IKBKB (0.38) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL17774976 0.82 IKBKB (0.39) MAPTALDH1A1HPGDIKBKBGAA
SCHEMBL267568 0.81 ALDH1A1 (0.55) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL17779275 0.80 IKBKB (0.35) MAPTKMT2AMEN1ALDH1A1HPGD

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-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

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 CRHR1 4855/4885MAPT 2197/4885KMT2A 1157/4885

“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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