SCHEMBL4787971

SCHEMBL4787971

COc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OC(C)(C)COc2ccccc2)n1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 5/20 0.36
TP53 P04637 5/20 0.36
NTRK1 P04629 2/20 0.36
LMNA P02545 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
F2 P00734 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MAPK8 P45983 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4786501 0.88 MEN1 (0.35) MEN1KMT2ACRHBPCRHR2LMNA
SCHEMBL4886940 0.88 MEN1 (0.35) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL3290470 0.88 NTRK1 (0.42) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4786438 0.86 CNR1 (0.43) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4788605 0.84 MAPT (0.44) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4788948 0.83 KMT2A (0.43) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4883272 0.81 MEN1 (0.36) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4883276 0.80 MEN1 (0.38) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4893158 0.78 MAPK1 (0.40) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4897250 0.76 CNR1 (0.44) MEN1KMT2ATP53NTRK1LMNA

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 3 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
WO-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
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 MEN1 4091/4885KMT2A 1789/4885CRHBP 613/4885

“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.