SCHEMBL16494158

SCHEMBL16494158

OB(O)Oc1ccncc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.38
CA12 O43570 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA1 P00915 2/20 0.32
CA14 Q9ULX7 1/20 0.32
NUDT1 P36639 1/20 0.31
RPS6KA3 P51812 3/20 0.30

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
SCHEMBL31019246 1.00 LOXL2 (0.38) LOXL2CA12CA2CA9CA1
SCHEMBL28587853 0.90 LOXL2 (0.33) LOXL2CA12CA2CA9CA1
SCHEMBL30608511 0.74 CA12 (0.43) CA12CA2CA9CA1
SCHEMBL22581461 0.74 CA12 (0.43) CA12CA2CA9CA1CA14
SCHEMBL27168866 0.73 SSTR4 (0.38)
SCHEMBL29911763 0.72
SCHEMBL4373859 0.72
SCHEMBL12557645 0.72 LOXL2 (0.38) LOXL2CA12CA2CA9CA1
SCHEMBL27685127 0.72 SIRT3 (0.40)
SCHEMBL28364429 0.72 RPS6KA3 (0.30) RPS6KA3

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A LOXL2 4806/4885CA12 4726/4885CA2 4303/4885

“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.