SCHEMBL19626778

SCHEMBL19626778

Cc1nc(-c2cc(F)c(N3CCCC3)c(F)c2)c(F)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 13/20 0.38
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL19625460 0.82 FFAR4 (0.35) FFAR4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL19626521 0.78 APP (0.40) RAB9ANPC1ALDH1A1TSHR
SCHEMBL19626603 0.77 ALDH1A1 (0.46) FFAR4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL17625939 0.72 FFAR4 (0.37) FFAR4SMN1; SMN2RAB9AALDH1A1
SCHEMBL19626765 0.72 GRIA2 (0.32) ALDH1A1
SCHEMBL19625457 0.70 FFAR4 (0.41) FFAR4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL16250650 0.68 ALDH1A1 (0.43) FFAR4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL19626512 0.67 MAPT (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1TSHR
SCHEMBL17625929 0.67 FFAR4 (0.43) FFAR4
SCHEMBL9832077 0.65 RAB9A (0.46) FFAR4SMN1; SMN2RAB9ANPC1ALDH1A1

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-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 FFAR4 1815/4885SMN1; SMN2 4828/4885RAB9A 3162/4885

“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.