SCHEMBL17779229

SCHEMBL17779229

CCNc1ccc(N)c(C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.45
ADRA2A P08913 4/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
PLEC Q15149 1/20 0.41
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK8 P45983 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SYK P43405 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
SCHEMBL17774906 0.87 ALDH1A1 (0.47) IKBKBALDH1A1MAPTKDM4EHPGD
SCHEMBL17774900 0.84 F2R (0.44) IKBKBADRA2AADRA2BMAPTKDM4E
SCHEMBL23717441 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL17779288 0.81 ALDH1A1 (0.50) IKBKBADRA2AADRA2CALDH1A1KDM4E
SCHEMBL17774946 0.80 IKBKB (0.49) IKBKBADRA2AADRA2BADRA2CALDH1A1
SCHEMBL17779338 0.80 IKBKB (0.40) IKBKBALDH1A1MAPTKDM4EHPGD
SCHEMBL19674302 0.79 LRRK2 (0.42) ADRA2AADRA2BADRA2CALDH1A1MAPT
SCHEMBL17774947 0.79 IKBKB (0.45) IKBKBALDH1A1MAPTKDM4EHPGD
SCHEMBL17779286 0.78 HPGD (0.40) ALDH1A1KDM4EHPGDHTT
SCHEMBL6069330 0.78 IKBKB (0.50) IKBKBALDH1A1MAPTKDM4EHPGD

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 IKBKB 3089/4885ADRA2A 3540/4885ADRA2B 3189/4885

“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.