SCHEMBL13041703

SCHEMBL13041703

[C-]#[N+]c1ccc2c(c1)nc(CO)n2CCCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL13041699 0.88 CNR2 (0.38) KMT2AMEN1HDAC1HDAC8
SCHEMBL13041706 0.82 RAB9A (0.39) RAB9AHDAC1HDAC8
SCHEMBL3729186 0.81 POLB (0.41) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL3729573 0.80 RAB9A (0.42) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL13041654 0.78 TSHR (0.48) POLBMAPK1HDAC1
SCHEMBL3746499 0.75 HDAC1 (0.41) RAB9ASMN1; SMN2TP53NPC1POLB
SCHEMBL3734568 0.73 GRM2 (0.46) HDAC1HDAC8
SCHEMBL13099529 0.73 CNR2 (0.41)
SCHEMBL13099557 0.72 CNR2 (0.50)
SCHEMBL9978109 0.71 SMN1; SMN2 (0.37) RAB9ASMN1; SMN2TP53NPC1POLB

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 RAB9A 58/4885SMN1; SMN2 48/4885TP53 2748/4885

“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.