SCHEMBL13089149

SCHEMBL13089149

Cc1ccccc1C(c1ccncc1)c1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 3/20 0.33
ESR1 P03372 1/20 0.32
AHR P35869 1/20 0.31
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
ADRA1D P25100 2/20 0.30
ADRA1A P35348 2/20 0.30
ADRA1B P35368 2/20 0.30
KCNH2 Q12809 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 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
SCHEMBL8027681 0.90 CYP19A1 (0.37) SLC6A2SLC6A4SLC6A3GAACYP19A1
SCHEMBL13089096 0.89 ADRA2A (0.40) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL13099341 0.87 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL10552827 0.86 ESR1 (0.38) SLC6A2SLC6A4SLC6A3GAAMAPT
SCHEMBL13089142 0.85 GAA (0.52) SLC6A2SLC6A4SLC6A3GAAKDM4E
SCHEMBL13089174 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL13089039 0.82 SLC6A3 (0.57) SLC6A2SLC6A4SLC6A3GAAKDM4E
SCHEMBL13089106 0.81 CYP19A1 (0.34) SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL13089114 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL13089136 0.81 MAPT (0.42) SLC6A2SLC6A4SLC6A3GAAKDM4E

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 SLC6A2 2046/4885SLC6A4 1930/4885SLC6A3 2604/4885

“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.