SCHEMBL1102029

SCHEMBL1102029

O=C(CCn1ccc2cc(Cl)c(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ PKM P14618 2/20 0.56
▸ AVPR2 P30518 1/20 0.55
▸ GPR27 Q9NS67 1/20 0.55
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ SCN3A Q9NY46 3/20 0.53
▸ SCN5A Q14524 1/20 0.53
▸ SCN9A Q15858 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP3A4 P08684 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
SCHEMBL9974111 0.92 LMNA (0.57) LMNATSHRSMN1; SMN2PKMAVPR2
SCHEMBL1092055 0.90 AVPR2 (0.59) LMNATSHRSMN1; SMN2PKMAVPR2
SCHEMBL1102270 0.90 AVPR2 (0.59) LMNATSHRSMN1; SMN2PKMAVPR2
SCHEMBL1102141 0.90 LMNA (0.60) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102126 0.87 ALDH1A1 (0.60) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102127 0.87 LMNA (0.59) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102121 0.86 PKM (0.64) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102059 0.86 LMNA (0.41) LMNATSHRSMN1; SMN2PKMSCN3A
SCHEMBL9974100 0.85 PKM (0.54) LMNATSHRSMN1; SMN2PKMAVPR2
SCHEMBL1102269 0.85 LMNA (0.59) LMNATSHRSMN1; SMN2PKMAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 — — US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 — — US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 — — US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 — — US disclosed
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
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 — — 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 (3 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 LMNA 1374/4885TSHR 4176/4885SMN1; SMN2 524/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 LMNA 1374/4885TSHR 4176/4885SMN1; SMN2 524/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 LMNA 1374/4885TSHR 4176/4885SMN1; SMN2 524/4885

“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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