SCHEMBL3729573

SCHEMBL3729573

N#Cc1ccc2c(c1)nc(CO)n2CCCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PDE2A O00408 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
GRM2 Q14416 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ITK Q08881 1/20 0.37

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
SCHEMBL7893298 0.88 PDE2A (0.42) PDE2AALDH1A1GRM2KDM4EGLA
SCHEMBL3734374 0.83 ITK (0.40) RAB9APDE2AGRM2ITK
SCHEMBL31069468 0.81 POLB (0.42) RAB9ATP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL31069461 0.81 POLB (0.42) RAB9ATP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL13041703 0.80 RAB9A (0.40) RAB9ATP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL3729186 0.80 POLB (0.41) RAB9ATP53SMN1; SMN2NPC1POLB
SCHEMBL3731009 0.78 CNR2 (0.47) MAPK1
SCHEMBL6489644 0.76 SMN1; SMN2 (0.43) RAB9ATP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL3746499 0.74 HDAC1 (0.41) RAB9ATP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL2878873 0.71 C5AR1 (0.44)

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 RAB9A 58/4885TP53 2748/4885SMN1; SMN2 48/4885

“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.