SCHEMBL4897158

SCHEMBL4897158

COc1nc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c(C(=O)OC(C)(C)C)n1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
MALT1 Q9UDY8 7/20 0.38
TRPC3 Q13507 2/20 0.38
TRPC1 P48995 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
STIM2 Q9P246 1/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MET P08581 1/20 0.37
MST1R Q04912 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4891786 0.91 ALDH1A1 (0.42) MAPTMALT1TRPC3TRPC1STIM1
SCHEMBL4885880 0.84 CNR1 (0.39) MAPTKDM4EALDH1A1HPGD
SCHEMBL4786438 0.82 CNR1 (0.43) MAPTTP53THRBALDH1A1LMNA
SCHEMBL3441956 0.82 ALDH1A1 (0.45) MAPTTP53THRBMALT1KDM4E
SCHEMBL3441757 0.76 ALDH1A1 (0.49) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL4894672 0.76 MAPK14 (0.34) MAPTKDM4ELMNAHTTMET
SCHEMBL4886940 0.75 MEN1 (0.35) MAPTTP53THRBALDH1A1LMNA
SCHEMBL4897672 0.75 FFAR2 (0.40) MAPTALDH1A1LMNANPSR1
SCHEMBL2856449 0.74 MAPT (0.50) MAPTTP53THRBMALT1TRPC3
SCHEMBL14020621 0.72 KDM4E (0.34) MAPTKDM4ELMNA

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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US claimed
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 MAPT 1814/4885TP53 4858/4885THRB 350/4885

“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.