SCHEMBL2601644

SCHEMBL2601644

CC(=O)CCn1cc(CC[18F])nn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.43
CSNK2A1 P68400 1/20 0.43
FOLH1 Q04609 2/20 0.43
EPHX2 P34913 1/20 0.40
ICMT O60725 2/20 0.39
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
GGPS1 O95749 2/20 0.37
GBA1 P04062 2/20 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
SCHEMBL12640254 0.89 HDAC1 (0.46) HDAC1CSNK2A1EPHX2ICMTGGPS1
SCHEMBL13437065 0.88 FOLH1 (0.46) HDAC1CSNK2A1FOLH1EPHX2MMP2
SCHEMBL19303294 0.86 FOLH1 (0.47) HDAC1CSNK2A1FOLH1EPHX2MMP2
SCHEMBL21626004 0.86 POLB (0.47) HDAC1CSNK2A1EPHX2ICMTGBA1
SCHEMBL16234065 0.82 CSNK2A1 (0.40) HDAC1CSNK2A1EPHX2ICMTGGPS1
SCHEMBL19296370 0.80 FOLH1 (0.47) HDAC1CSNK2A1FOLH1EPHX2MMP2
SCHEMBL19303332 0.80 FOLH1 (0.47) HDAC1CSNK2A1FOLH1EPHX2MMP2
SCHEMBL17776274 0.79 EPHX2 (0.46) HDAC1CSNK2A1FOLH1EPHX2GBA1
SCHEMBL17490608 0.79 EPHX2 (0.46) HDAC1CSNK2A1EPHX2GGPS1GBA1
SCHEMBL17776313 0.79 EPHX2 (0.52) HDAC1FOLH1EPHX2GBA1

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-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-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 HDAC1 3693/4885CSNK2A1 4646/4885FOLH1 226/4885

“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.