SCHEMBL13089142

SCHEMBL13089142

Cc1ccccc1C(c1cccnc1)c1c[nH]cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP19A1 P11511 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP2A6 P11509 1/20 0.34
KCNA5 P22460 2/20 0.34
NPY5R Q15761 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL13089094 0.90 GAA (0.44) GAASLC6A2SLC6A4SLC6A3CFTR
SCHEMBL8027681 0.86 CYP19A1 (0.37) GAASLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL13089149 0.85 SLC6A2 (0.40) GAASLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL13089152 0.84 SLC6A2 (0.44) GAASLC6A2SLC6A4SLC6A3CFTR
SCHEMBL13089180 0.83 SLC6A2 (0.61) GAASLC6A2SLC6A4SLC6A3CFTR
SCHEMBL10552827 0.83 ESR1 (0.38) GAASLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL13089064 0.81 SLC6A2 (0.41) GAASLC6A2SLC6A4SLC6A3CFTR
SCHEMBL13089104 0.80 KCNA5 (0.45) GAASLC6A2SLC6A4SLC6A3CFTR
SCHEMBL13089119 0.80 SLC6A2 (0.39) GAASLC6A2SLC6A4SLC6A3CFTR
SCHEMBL3028121 0.79 CFTR (0.38) GAASLC6A2SLC6A4SLC6A3CFTR

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-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 US disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 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-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS CYP11B2, TPMT, COXFA4L2 GAA 362/4885SLC6A2 2046/4885SLC6A4 1930/4885

“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.