SCHEMBL13797219

SCHEMBL13797219

CC(C)(C)OC(=O)NCCNc1nc(NCc2ccc(NC(=O)c3cccn(Cc4cccc(Cl)c4)c3=O)cc2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CTNNB1 P35222 11/20 0.49
▸ TCF7L2 Q9NQB0 11/20 0.49
▸ POLB P06746 1/20 0.47
▸ PDPK1 O15530 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL13797220 0.86 CTNNB1 (0.59) MAPTTP53CTNNB1TCF7L2POLB
SCHEMBL13797205 0.77 CTNNB1 (0.68) CTNNB1TCF7L2
SCHEMBL13333277 0.76 PDPK1 (0.61) MAPTTP53POLBPDPK1RXFP1
SCHEMBL13797208 0.76 CTNNB1 (0.73) CTNNB1TCF7L2
SCHEMBL13306397 0.75 PDPK1 (0.62) MAPTTP53POLBPDPK1RXFP1
SCHEMBL13797218 0.74 CTNNB1 (0.53) MAPTCTNNB1TCF7L2
SCHEMBL14309044 0.73 PDPK1 (0.64) MAPTTP53POLBPDPK1RXFP1
SCHEMBL13306405 0.73 PDPK1 (0.64) MAPTTP53POLBPDPK1RXFP1
SCHEMBL4989827 0.72 MAPT (0.50) MAPTTP53POLBPDPK1RXFP1
SCHEMBL14090925 0.70 MAPT (0.51) MAPTTP53POLBPDPK1RXFP1

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-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — 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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R MAPT 1454/4885TP53 4774/4885CTNNB1 1772/4885

“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.

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