SCHEMBL6833629

SCHEMBL6833629

N#Cc1ccc(-c2ccccc2C(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.41
KIF11 P52732 2/20 0.40
PDK2 Q15119 1/20 0.40
IDO1 P14902 1/20 0.40
MMP3 P08254 1/20 0.39
PTGS1 P23219 1/20 0.39
AR P10275 1/20 0.38
ESR2 Q92731 1/20 0.38
MAOA P21397 1/20 0.37
CYP11B2 P19099 3/20 0.37
PTPN5 P54829 1/20 0.37
STAT3 P40763 1/20 0.36

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
SCHEMBL15837550 0.81 CA12 (0.51) MAOBTRPA1TSHRKIF11IDO1
SCHEMBL31463164 0.80 TSHR (0.57) MAOBTSHRKIF11PDK2IDO1
SCHEMBL31432929 0.78 TRPA1 (0.46) TRPA1
SCHEMBL4873147 0.78 TRPA1 (0.46) TRPA1
SCHEMBL11996571 0.76 TSHR (0.44) MAOBTSHRKIF11IDO1PTGS1
SCHEMBL3422469 0.76 TSHR (0.59) MAOBTSHRKIF11PDK2IDO1
SCHEMBL31245798 0.75 CYP11B1 (0.47) MAOBTSHRKIF11PDK2MMP3
SCHEMBL16817007 0.75 TSHR (0.46) MAOBTSHRKIF11PDK2IDO1
SCHEMBL4333682 0.75 CYP11B1 (0.47) MAOBTSHRKIF11PDK2MMP3
Hydrogen Sulfide SCHEMBL27511889 0.74 TSHR (0.56) MAOBTSHRKIF11PDK2MMP3

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-20040044041-A1 2-(Biarylalkyl)amino-3-(cyanoalkanoylamino)pyridine derivatives KUDUK SCOTT D (US) 2004-03-04 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-20040044041-A1 2-(Biarylalkyl)amino-3-(cyanoalkanoylamino)pyridine derivatives BDKRB1, BDKRB2, LTB4R2 MAOB 617/4885TRPA1 9/4885TSHR 3201/4885

“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.