SCHEMBL10232885

SCHEMBL10232885

Cc1ccc(CNC(=O)c2cc3cccnc3nc2C)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ SUCNR1 Q9BXA5 5/20 0.44
▸ NR3C1 P04150 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ EGLN1 Q9GZT9 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
SCHEMBL620104 0.90 NR3C1 (0.54) SMN1; SMN2HTTSUCNR1NR3C1POLB
SCHEMBL619617 0.88 HTT (0.45) SMN1; SMN2HTTSUCNR1NR3C1HDAC6
SCHEMBL620473 0.88 PTGDR2 (0.47) SMN1; SMN2HTTSUCNR1NR3C1HDAC6
SCHEMBL20244979 0.86 SMN1; SMN2 (0.54) SMN1; SMN2HTTHCRTR1HCRTR2POLB
SCHEMBL617600 0.86 HTT (0.54) SMN1; SMN2HTTSUCNR1HDAC6HPGD
SCHEMBL619554 0.86 HTT (0.43) SMN1; SMN2HTTSUCNR1NR3C1HDAC6
SCHEMBL617401 0.86 HTT (0.46) SMN1; SMN2HTTSUCNR1NR3C1HDAC6
SCHEMBL619738 0.86 HCRTR1 (0.52) SMN1; SMN2HTTSUCNR1NR3C1HCRTR1
SCHEMBL247884 0.84 LMNA (0.52) SMN1; SMN2HTTHPGDLMNA
SCHEMBL619784 0.84 TRPV1 (0.53) SMN1; SMN2HTTSUCNR1NR3C1

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-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 — — US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 — — 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 SMN1; SMN2 4137/4885HTT 4219/4885SUCNR1 579/4885

“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.

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