SCHEMBL990147

SCHEMBL990147

CN(C)S(=O)(=O)n1c(N)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
NOD1 Q9Y239 10/20 0.60
CXCL8 P10145 4/20 0.60
NOD2 Q9HC29 2/20 0.58
GAA P10253 1/20 0.58
ALDH3A1 P30838 2/20 0.55
NOS2 P35228 1/20 0.51
MAPK14 Q16539 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.44
CXCR4 P61073 1/20 0.42

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
SCHEMBL5991067 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NOD1CXCL8NOD2GAA
SCHEMBL4873241 0.81 NOD1 (0.66) SMN1; SMN2NOD1CXCL8NOD2GAA
SCHEMBL3490377 0.81 SMN1; SMN2 (0.74) SMN1; SMN2NOD1CXCL8NOD2GAA
SCHEMBL11148665 0.79 SMN1; SMN2 (0.44) SMN1; SMN2NOD1CXCL8NOD2GAA
SCHEMBL11149114 0.79 MAPK14 (0.47) SMN1; SMN2NOD1CXCL8NOD2GAA
SCHEMBL989419 0.79 MAPK14 (0.49) SMN1; SMN2NOD1CXCL8NOD2GAA
SCHEMBL11246875 0.79 PI4KB (0.46) SMN1; SMN2NOD1CXCL8NOD2GAA
SCHEMBL4839325 0.79 MAPK14 (0.49) SMN1; SMN2NOD1CXCL8NOD2GAA
Water SCHEMBL11255021 0.78 KMT2A (0.46) SMN1; SMN2NOD1CXCL8NOD2GAA
SCHEMBL4880923 0.78 PI4KB (0.53) SMN1; SMN2NOD1CXCL8NOD2GAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed
US-4435394-A 3-Sulfonamido-benzophenonimine derivatives useful for treating virus infections SHIONOGI & CO., LTD. (JP) 1984-03-06 US disclosed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (2 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 SMN1; SMN2 4631/4885NOD1 1591/4885CXCL8 516/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 SMN1; SMN2 3611/4885NOD1 4801/4885CXCL8 4312/4885

“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.