SCHEMBL3935349

SCHEMBL3935349

CCCS(=O)(=O)c1cc(N)ccc1NCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NCF1 P14598 2/20 0.38
ADRA2C P18825 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
METAP2 P50579 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34

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
SCHEMBL17774691 0.76 POLB (0.41) ALDH1A1NPSR1CA2HSD17B10GAA
SCHEMBL10893616 0.76 METAP2 (0.46) ALDH1A1NCF1METAP2GAAKDM4E
SCHEMBL10890812 0.76 GAA (0.49) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL24992425 0.76 NCF1 (0.43) ALDH1A1NPSR1NCF1SMN1; SMN2MAPT
SCHEMBL10892465 0.76 SMN1; SMN2 (0.55) SMN1; SMN2CA12CA2CA9METAP2
SCHEMBL10899520 0.75 SMN1; SMN2 (0.37) ALDH1A1NPSR1SMN1; SMN2CA2METAP2
SCHEMBL10891922 0.75 CYP2D6 (0.46) ALDH1A1NPSR1NCF1SMN1; SMN2CA12
SCHEMBL10892269 0.75 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2CA12CA2CA9
SCHEMBL10894138 0.74 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2CA12CA2CA9
SCHEMBL10894742 0.74 GAA (0.52) ALDH1A1SMN1; SMN2CA12CA2CA9

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 ALDH1A1 2387/4885NPSR1 1044/4885NCF1 2349/4885

“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.