SCHEMBL18360403

SCHEMBL18360403

O=C(NCCc1cccs1)c1cc2c(cc1F)COB2O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
NAMPT P43490 2/20 0.42
HPGD P15428 1/20 0.42
BRD4 O60885 1/20 0.42
MAPT P10636 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
ATM Q13315 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA4 P22748 1/20 0.40
HSD11B1 P28845 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL18360398 0.88 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL18360460 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL18360485 0.84 CA1 (0.56) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL18360487 0.81 CA1 (0.42) CA1CA2CA12CA9CA4
SCHEMBL28429389 0.79 CA1 (0.44) CA1CA2CA12CA9CA4
SCHEMBL29529370 0.78 CA1 (0.40) CA1CA2CA12CA9CA4
SCHEMBL18360531 0.78 CA1 (0.41) CA1CA2CA12CA9CA4
SCHEMBL18360519 0.78 CA1 (0.42) CA1CA2CA12CA9CA4
SCHEMBL18360450 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDCA1
SCHEMBL18360527 0.77 CA1 (0.41) CA1CA2CA12CA9CA4

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-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 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-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 NPC1 1614/4885RAB9A 1828/4885SMN1; SMN2 2375/4885

“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.