SCHEMBL13440168

SCHEMBL13440168

N#Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N=[N+]=[N-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 8/20 0.47
▸ AR P10275 6/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ PDE2A O00408 1/20 0.35
▸ PTPN5 P54829 2/20 0.35
▸ XDH P47989 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 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
SCHEMBL16894268 0.73 KIF11 (0.56) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL2167740 0.72 KIF11 (0.57) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL25257701 0.72 CYP11B2 (0.47) ARCYP11B1CYP11B2
SCHEMBL30510146 0.72 CYP11B2 (0.47) ARCYP11B1CYP11B2
SCHEMBL27740293 0.71 PDE2A (0.34) ARPDE2A
SCHEMBL3480548 0.70 KIF11 (0.56) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL3480811 0.70 CYP11B1 (0.68) KIF11ARCYP11B1CYP11B2
SCHEMBL23088100 0.70 CYP2A6 (0.38) AR
SCHEMBL12650323 0.70 KIF11 (0.51) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL6780932 0.69 KIF11 (0.55) KIF11ARCYP11B1CYP11B2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 — — US disclosed
US-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 — — US disclosed
WO-2008087178-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-07-24 — — WO 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-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNN3, KCNN2 KIF11 1089/4885AR 4405/4885CYP11B1 2810/4885

“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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