SCHEMBL3059460

SCHEMBL3059460

OC(c1cccnc1)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.44
KCNA5 P22460 8/20 0.43
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
KCNH2 Q12809 4/20 0.42
CYP17A1 P05093 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11891102 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KCNA5KCNH2
SCHEMBL1482980 0.86 SMN1; SMN2 (0.39) SMN1; SMN2KCNA5SLC6A2SLC6A4SLC6A3
SCHEMBL11891091 0.76 CYP11B1 (0.39) SMN1; SMN2KCNA5SLC6A2SLC6A4SLC6A3
SCHEMBL13089069 0.76 CYP11B1 (0.39) SMN1; SMN2KCNA5SLC6A2SLC6A4SLC6A3
SCHEMBL16460462 0.75 SMN1; SMN2 (0.59) SMN1; SMN2GAAKCNA5CFTRSLC6A2
SCHEMBL3026300 0.75 TSHR (0.34) SMN1; SMN2GAATSHRLMNAL3MBTL1
SCHEMBL2204312 0.73 ADRA2A (0.47) GAATSHR
SCHEMBL477633 0.73 SMN1; SMN2 (1.00) SMN1; SMN2GAAKCNA5CFTRSLC6A2
SCHEMBL30476558 0.73 SMN1; SMN2 (1.00) SMN1; SMN2GAAKCNA5CFTRSLC6A2
SCHEMBL477393 0.73 SMN1; SMN2 (1.00) SMN1; SMN2GAAKCNA5CFTRSLC6A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155715-B1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN INC (US) 2013-03-13 EP disclosed
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
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 US disclosed
EP-2155715-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2010-02-24 EP disclosed
WO-2008141312-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2008-11-20 WO 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 SMN1; SMN2 2674/4885GAA 362/4885KCNA5 3273/4885

“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.