SCHEMBL18360443

SCHEMBL18360443

O=C(NCCOc1ccccc1)c1cc2c(cc1Cl)COB2O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HPGD P15428 4/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.44
PTGS2 P35354 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL18360450 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL18360475 0.84 CA1 (0.56) NPC1RAB9ACA1CA2CA9
SCHEMBL18360459 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL18360482 0.82 PDE4A (0.52) CA1CA2CA9HPGDALDH1A1
SCHEMBL18360397 0.81 CA1 (0.60) CA1CA2CA9
SCHEMBL18360467 0.80 LMNA (0.48) SMN1; SMN2CA1CA2CA9HPGD
SCHEMBL18360398 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL18360513 0.77 CA1 (0.41) CA1CA2CA9
SCHEMBL18360469 0.76 CA1 (0.40) CA1CA2CA9
SCHEMBL18360474 0.76 HPGD (0.48) NPC1CA1CA2CA9HPGD

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.