SCHEMBL3069838

SCHEMBL3069838

OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2cccc(Cl)c2F)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.37
NOTUM Q6P988 3/20 0.36
KMO O15229 2/20 0.35
P2RX7 Q99572 1/20 0.34
NR4A2 P43354 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
NMUR2 Q9GZQ4 1/20 0.32
PTGIR P43119 1/20 0.32
CTSA P10619 1/20 0.32
F11 P03951 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL17651946 0.79 MAPK1 (0.35) NOTUMHSD11B1
SCHEMBL10917397 0.75 NOTUM (0.39) NOTUMP2RX7RXRAGRIN1GRIN2B
SCHEMBL6971146 0.72 KDM4E (0.37) NOTUM
SCHEMBL10676751 0.72 NOTUM (0.36) NOTUMP2RX7
SCHEMBL8022922 0.69 NOTUM (0.36) NOTUMP2RX7
SCHEMBL6967504 0.69 TGFBR1 (0.32)
SCHEMBL7939502 0.68 BACE1 (0.33)
SCHEMBL7713293 0.68 ALDH1A1 (0.40)
SCHEMBL10916866 0.64 CYP11B1 (0.31)
SCHEMBL29566200 0.63 KMO (0.40) NOTUMKMOGRIN2BNMUR2CTSA

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 MDM2 2614/4885NOTUM 1191/4885KMO 1648/4885

“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.