SCHEMBL1102270

SCHEMBL1102270

O=C(CCn1ccc2cc(Cl)ccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.59
GPR27 Q9NS67 1/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 1/20 0.59
SCN3A Q9NY46 3/20 0.57
SCN5A Q14524 1/20 0.57
SCN9A Q15858 1/20 0.57
PKM P14618 1/20 0.55
PPIA P62937 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 3/20 0.53
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX12 P18054 1/20 0.51

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
SCHEMBL1092055 0.93 AVPR2 (0.59) AVPR2GPR27LMNASMN1; SMN2TSHR
SCHEMBL9974112 0.92 AVPR2 (0.59) AVPR2GPR27LMNASMN1; SMN2TSHR
SCHEMBL1102029 0.90 LMNA (0.60) AVPR2GPR27LMNASMN1; SMN2TSHR
SCHEMBL1102127 0.90 LMNA (0.59) LMNASMN1; SMN2TSHRSCN3APKM
SCHEMBL1102121 0.88 PKM (0.64) LMNASMN1; SMN2TSHRSCN3APKM
SCHEMBL1102072 0.87 SMN1; SMN2 (0.56) LMNASMN1; SMN2TSHRSCN3APKM
SCHEMBL9974136 0.87 AVPR2 (0.58) AVPR2GPR27LMNASMN1; SMN2TSHR
SCHEMBL1102141 0.87 LMNA (0.60) LMNASMN1; SMN2TSHRSCN3APKM
SCHEMBL1102109 0.86 SCN9A (0.45) AVPR2GPR27SCN3ASCN5ASCN9A
SCHEMBL9972246 0.85 AVPR2 (0.59) AVPR2GPR27LMNASMN1; SMN2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 AVPR2 1442/4885GPR27 1810/4885LMNA 1374/4885

“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.