SCHEMBL17779281

SCHEMBL17779281

CCCCN(C)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ IKBKB O14920 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ TRPV1 Q8NER1 7/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ GAA P10253 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
SCHEMBL17774956 0.91 IKBKB (0.41) MAPTIKBKBMEN1KMT2ANR1I2
SCHEMBL5792361 0.88 MAPT (0.47) MAPTMEN1KMT2ATRPV1PTPN11
SCHEMBL17774928 0.85 IKBKB (0.41) MAPTIKBKBMEN1KMT2AALDH1A1
SCHEMBL17774944 0.85 IKBKB (0.41) MAPTIKBKBMEN1KMT2AALDH1A1
SCHEMBL17774933 0.85 IKBKB (0.37) MAPTIKBKBMEN1KMT2ANR1I2
SCHEMBL17774950 0.84 IKBKB (0.44) MAPTIKBKBMEN1KMT2ACYP3A4
SCHEMBL17774976 0.81 IKBKB (0.39) MAPTIKBKBALDH1A1HSD17B10KDM4E
SCHEMBL17774935 0.80 IKBKB (0.42) MAPTIKBKBMEN1KMT2ANR1I2
SCHEMBL11620385 0.79 MEN1 (0.42) MAPTIKBKBMEN1KMT2ANR1I2
SCHEMBL17774945 0.78 IKBKB (0.41) MAPTIKBKBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 2197/4885IKBKB 3089/4885MEN1 4240/4885

“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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