SCHEMBL3069842

SCHEMBL3069842

OC(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cccc(Cl)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.34
KCNA3 P22001 2/20 0.34
KCNH2 Q12809 2/20 0.34
MEN1 O00255 1/20 0.34
SLC22A1 O15245 1/20 0.34
NR1I2 O75469 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
TRPM2 O94759 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
NR3C1 P04150 1/20 0.34
ERBB2 P04626 1/20 0.34
TP53 P04637 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
FYN P06241 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL1479136 0.81 CYP11B1 (0.36) KCNH2NR1I2ADORA3TBXA2RCCKBR
SCHEMBL2204309 0.79 TSHR (0.43) LMNACYP1A2CYP3A4ADRA2ACYP2C9
SCHEMBL17651947 0.79 SIRT2 (0.36) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL12510466 0.78 SIRT2 (0.35) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL2202154 0.76 CYP11B1 (0.40) LMNASMN1; SMN2SIRT2CYP11B1CYP11B2
SCHEMBL2104666 0.76 SIRT2 (0.36) KCNN4KCNA3KCNH2MEN1SLC22A1
SCHEMBL13089076 0.75 KCNN4 (0.35) KCNN4KCNA3KCNH2MEN1SLC22A1
SCHEMBL3748584 0.74 HCRTR1 (0.32) PTGS2SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL3789168 0.73 CYP11B1 (0.36) CYP3A4CYP2D6MAPTADORA2AADORA1
SCHEMBL30994944 0.73 CYP19A1 (0.39) CYP1A2CYP3A4MAPTCYP19A1TSHR

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 4 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
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 KCNN4 1966/4885KCNA3 2858/4885KCNH2 1765/4885

“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.