SCHEMBL15617808

SCHEMBL15617808

[N-]=[N+]=Nc1ccc(CF)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 4/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PTGS2 P35354 4/20 0.39
▸ DNM1 Q05193 1/20 0.38
▸ PNMT P11086 1/20 0.38
▸ SMO Q99835 2/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ HDAC3 O15379 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL15617806 1.00 CYP51A1 (0.46) CYP51A1CA1CA2CA5ACA9
SCHEMBL30874461 0.81 CYP51A1 (0.49) CYP51A1CA1CA2CA5ACA9
SCHEMBL15590856 0.81 CYP51A1 (0.49) CYP51A1CA1CA2CA5ACA9
SCHEMBL16748959 0.80 CA1 (0.58) CYP51A1CA1CA2CA5ACA9
SCHEMBL23623817 0.77 CYP51A1 (0.50) CYP51A1CA1CA2CA5ACA9
SCHEMBL16242461 0.77 CA1 (0.48) CYP51A1CA1CA2CA5ACA9
SCHEMBL13455265 0.77 PLAU (0.47) CYP51A1CA1CA2CA5ACA9
SCHEMBL20553240 0.77 CA1 (0.48) CYP51A1CA1CA2CA5ACA9
SCHEMBL13449507 0.77 TP53 (0.48) CYP51A1CA1CA2CA5ACA9
SCHEMBL14190008 0.77 CYP51A1 (0.46) CYP51A1CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985406-B A kind of18F-labeled polypeptide compound and preparation method and application thereof 中国科学院上海应用物理研究所 2020-10-23 — — CN disclosed
US-8680260-B2 18F-labeled azide compound, reagent for 18F-labeling and method for 18F-labeling of alkyne compound using same RIKEN (JP) 2014-03-25 — — US disclosed
US-8680260-B2 18F-labeled azide compound, reagent for 18F-labeling and method for 18F-labeling of alkyne compound using same RIKEN (JP) 2014-03-25 — — US disclosed
EP-2500338-A1 F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME Riken (JP) 2012-09-19 — — EP disclosed
US-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME RIKEN (JP) 2012-04-26 — — US disclosed
US-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME RIKEN (JP) 2012-04-26 — — 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-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME UMPS, APOBEC3G, FPR1 CYP51A1 2738/4885CA1 2091/4885CA2 4258/4885

“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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