SCHEMBL5859799

SCHEMBL5859799

CN(C)CCCN(C)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ VCAM1 P19320 2/20 0.46
▸ MMP2 P08253 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ CA12 O43570 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL5856927 0.89 HDAC4 (0.47) HDAC4HDAC6MMP2MMP7MMP8
SCHEMBL6034810 0.83 SIGMAR1 (0.56) HDAC4HDAC6VCAM1MMP2MMP7
SCHEMBL11520791 0.82 CYP2D6 (0.46) VCAM1GAACA12CA2CA9
SCHEMBL11684049 0.81 CYP2D6 (0.45) VCAM1GAACA12CA2CA9
SCHEMBL3944095 0.79 CA9 (0.57) HDAC4HDAC6VCAM1GAACA12
SCHEMBL28417721 0.78 GAA (0.53) VCAM1GAACA12CA2CA9
SCHEMBL4773652 0.78 GAA (0.46) MMP2MMP7MMP8MMP13ADAM17
SCHEMBL4768851 0.78 CASP3 (0.53) MMP2MMP7MMP8MMP13ADAM17
SCHEMBL11522008 0.78 CYP2D6 (0.49) MMP2MMP7MMP8MMP13ADAM17
SCHEMBL4763901 0.76 SIGMAR1 (0.64) CA12CA9

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-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 — — US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 — — 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 HDAC4 1987/4885HDAC6 2746/4885VCAM1 1229/4885

“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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