SCHEMBL3944095

SCHEMBL3944095

CN(C)CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 5/20 0.57
▸ CA12 O43570 4/20 0.57
▸ CA1 P00915 3/20 0.57
▸ CA2 P00918 3/20 0.57
▸ CA3 P07451 3/20 0.57
▸ CA4 P22748 3/20 0.57
▸ CA6 P23280 3/20 0.57
▸ CA5A P35218 3/20 0.57
▸ CA7 P43166 3/20 0.57
▸ CA13 Q8N1Q1 3/20 0.57
▸ CA14 Q9ULX7 3/20 0.57
▸ CA5B Q9Y2D0 3/20 0.57
▸ VCAM1 P19320 2/20 0.56
▸ POLB P06746 2/20 0.53
▸ HDAC4 P56524 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MEN1 O00255 3/20 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
SCHEMBL3941274 0.90 CA9 (0.60) CA9CA12CA1CA2CA3
SCHEMBL18205654 0.84 CA12 (0.53) CA9CA12CA1CA2CA3
SCHEMBL18029396 0.80 CA9 (0.64) CA9CA12CA1CA2CA3
SCHEMBL4768899 0.80 CA12 (0.55) CA9CA12CA1CA2CA3
SCHEMBL18391493 0.80 CA12 (0.55) CA9CA12CA1CA2CA3
SCHEMBL4766144 0.80 CA12 (0.55) CA9CA12CA1CA2CA3
SCHEMBL5859799 0.79 HDAC4 (0.49) CA9CA12CA1CA2VCAM1
SCHEMBL6034810 0.79 SIGMAR1 (0.56) CA9CA12CA2VCAM1HDAC4
SCHEMBL4763988 0.78 SIGMAR1 (0.60) CA9CA12CA1CA2CA3
SCHEMBL10581963 0.77 VCAM1 (0.92) VCAM1ALDH1A1

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
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 — — EP disclosed
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 CA9 3453/4885CA12 4563/4885CA1 4053/4885

“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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