SCHEMBL13793556

SCHEMBL13793556

Cc1nc(NCc2ccc(CNC(=O)OC(C)(C)C)cc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.49
▸ APP P05067 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CTNNB1 P35222 1/20 0.48
▸ TCF7L2 Q9NQB0 1/20 0.48
▸ ACACB O00763 4/20 0.46
▸ ACACA Q13085 2/20 0.46
▸ NAMPT P43490 2/20 0.46
▸ ACHE P22303 1/20 0.46
▸ RAD52 P43351 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL13794054 0.90 BRD4 (0.56) BRD4KMT2AMEN1NPC1GAA
SCHEMBL3947626 0.85 CTNNB1 (0.48) BRD4APPKMT2AMEN1NPC1
SCHEMBL13793798 0.82 ACACB (0.63) ACACBACACACYP1A2
SCHEMBL13794050 0.82 ACACB (0.63) ACACBACACACYP1A2
SCHEMBL13926372 0.81 KMT2A (0.56) KMT2AMEN1NPC1GAARAB9A
SCHEMBL21649103 0.81 KMT2A (0.51) BRD4KMT2AMEN1NPC1GAA
SCHEMBL30024644 0.79 EGFR (0.55) BRD4KMT2AMEN1NPC1GAA
SCHEMBL8889354 0.78 SIRT5 (0.60) BRD4APPKMT2AMEN1GAA
SCHEMBL21013099 0.78 KMT2A (0.50) BRD4APPKMT2AMEN1NPC1
SCHEMBL29381485 0.78 KMT2A (0.50) BRD4APPKMT2AMEN1NPC1

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-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 BRD4 1133/4885APP 3921/4885KMT2A 633/4885

“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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