SCHEMBL16776403

SCHEMBL16776403

C[C@@H]1CCNc2ccc(-c3cccc(S(C)(=O)=O)c3)nc2N1C(=O)Nc1cccc(-c2cnco2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ VCP P55072 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ KCNH2 Q12809 4/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ HTR1A P08908 1/20 0.32

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
SCHEMBL16776409 0.90 WNT1 (0.39) MTORHDAC3HDAC4HDAC1HDAC7
SCHEMBL16776410 0.88 CREBBP (0.38) MTORHDAC3HDAC4HDAC1HDAC7
SCHEMBL16776296 0.87 RHOA (0.36) BRAFBRD4CREBBPADORA2A
SCHEMBL19670318 0.86 MTOR (0.36) MTORHDAC3HDAC4HDAC1HDAC7
SCHEMBL16776420 0.85 PIM1 (0.34) BRAFBRD4CREBBPPIM1HTR1A
SCHEMBL17618851 0.80 KIF18A (0.36) MTORHDAC3HDAC4HDAC1HDAC7
SCHEMBL16776108 0.79 CREBBP (0.45) BRAFBRD4CREBBPIMPDH2WNT1
SCHEMBL16776386 0.78 IMPDH2 (0.36) BRAFBRD4CREBBPIMPDH2HTR1A
SCHEMBL19670431 0.78 WNT1 (0.40) MTORHDAC3HDAC4HDAC1HDAC7
SCHEMBL16775979 0.77 CREBBP (0.44) MTORBRAFBRD4CREBBPIMPDH2

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MTOR 433/4885HDAC3 70/4885HDAC4 125/4885

“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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