SCHEMBL17221002

SCHEMBL17221002

FC(F)(F)C1(c2ccccc2C=Cc2ccccc2)N=N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.46
PDK2 Q15119 1/20 0.43
TRPA1 O75762 2/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRM4 Q14833 2/20 0.35
DHFR P00374 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
GRM5 P41594 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL17220999 1.00 NFE2L2 (0.46) NFE2L2PDK2TRPA1MEN1KMT2A
SCHEMBL17221007 0.82 TUBB4A (0.41) NFE2L2PDK2KMT2A
SCHEMBL17220956 0.82 APP (0.42) NFE2L2PDK2TRPA1MEN1KMT2A
SCHEMBL17220963 0.82 TUBB4A (0.41) NFE2L2PDK2TRPA1MEN1KMT2A
SCHEMBL17220957 0.82 CYP19A1 (0.42) NFE2L2PDK2MEN1KMT2AGRM4
SCHEMBL17220954 0.82 APP (0.42) NFE2L2PDK2TRPA1MEN1KMT2A
SCHEMBL17220967 0.82 TUBB4A (0.41) NFE2L2PDK2TRPA1MEN1KMT2A
SCHEMBL17221011 0.82 TUBB4A (0.41) NFE2L2PDK2KMT2A
SCHEMBL17220959 0.82 CYP19A1 (0.42) NFE2L2PDK2MEN1KMT2AGRM4
SCHEMBL17220982 0.79 CYP1A1 (0.55) NFE2L2PDK2TRPA1MEN1KMT2A

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-10005936-B2 Photoactive bioadhesive compositions NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-06-26 US claimed
US-20150315434-A1 New Photoactive Bioadhesive Compositions NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-11-05 US claimed

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-10005936-B2 Photoactive bioadhesive compositions L1CAM, CDH1, PCNA NFE2L2 2120/4885PDK2 3340/4885TRPA1 1414/4885

“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.