SCHEMBL13635446

SCHEMBL13635446

Cc1cccc(-n2nc(-c3ccc(F)cc3)ccc2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 2/20 0.49
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 5/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
STAT1 P42224 1/20 0.42

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
SCHEMBL10059895 0.83 CA1 (0.66) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL10059891 0.79 MAPT (0.51) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL4722872 0.76 KEAP1 (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11400808 0.76 CA1 (0.54) CA1CA2NPC1RAB9ALMNA
SCHEMBL11391436 0.74 CA1 (0.63) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL14883635 0.73 ALDH1A1 (0.45) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL19660194 0.73 AHR (0.49) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL13219301 0.71 NPBWR1 (0.53) PTGS1PTGS2SMN1; SMN2KMT2ANPC1
SCHEMBL1639017 0.71 CA1 (0.62) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL11150434 0.71 CA1 (0.55) CA1CA2SMN1; SMN2MEN1KMT2A

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-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 CA1 4695/4885CA2 4364/4885PTGS1 76/4885

“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.