SCHEMBL2842263

SCHEMBL2842263

C[N+]1(C)C2CCC1CC(C=C(c1ccccc1)c1ccccc1)C2.Cc1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.67
CHRM2 P08172 5/20 0.44
CHRM1 P11229 5/20 0.44
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PTGS2 P35354 2/20 0.33
PABPC1 P11940 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2842262 1.00 CHRM3 (0.67) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
SCHEMBL138472 0.85 CHRM3 (0.68) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
SCHEMBL138471 0.85 CHRM3 (0.68) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
Bromide SCHEMBL141730 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
Bromide SCHEMBL141731 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
Bromide SCHEMBL4166137 0.76 CHRM3 (0.88) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
Bromide SCHEMBL4166138 0.76 CHRM3 (0.88) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
SCHEMBL3910006 0.70 CHRM3 (0.47) CHRM3APOBEC3AAPOBEC3GPTGS2LMNA
Bromide SCHEMBL5039534 0.70 CHRM3 (0.74) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G
Bromide SCHEMBL5039532 0.70 CHRM3 (0.74) CHRM3CHRM2CHRM1APOBEC3AAPOBEC3G

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-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 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-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA CHRM3 207/4885CHRM2 100/4885CHRM1 281/4885

“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.