SCHEMBL1102053

SCHEMBL1102053

CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)nc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
SMN1; SMN2 Q16637 1/20 0.66
ALDH1A1 P00352 5/20 0.64
RECQL P46063 1/20 0.64
POLB P06746 6/20 0.63
LMNA P02545 2/20 0.63
HSD17B10 Q99714 2/20 0.63
GLA P06280 1/20 0.63
TP53 P04637 3/20 0.61
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL1102056 0.91 POLB (0.60) MAPTSMN1; SMN2ALDH1A1RECQLPOLB
SCHEMBL1102261 0.90 MAPT (0.71) MAPTALDH1A1RECQLPOLBLMNA
SCHEMBL1102052 0.86 SMN1; SMN2 (0.62) MAPTSMN1; SMN2ALDH1A1RECQLPOLB
SCHEMBL1102055 0.80 ALDH1A1 (0.64) MAPTSMN1; SMN2ALDH1A1RECQLPOLB
SCHEMBL1102096 0.80 MEN1 (0.82) MAPTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL1102099 0.77 PKM (0.57) MAPTSMN1; SMN2ALDH1A1RECQLPOLB
SCHEMBL1102018 0.77 TOP2A (0.56) MAPTSMN1; SMN2ALDH1A1RECQLPOLB
SCHEMBL1102017 0.76 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL3454960 0.75 MAPT (0.73) MAPTSMN1; SMN2ALDH1A1RECQLPOLB
SCHEMBL1102111 0.74 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1RECQLPOLB

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 8 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
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885SMN1; SMN2 524/4885ALDH1A1 2811/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885SMN1; SMN2 524/4885ALDH1A1 2811/4885

“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.