SCHEMBL1101900

SCHEMBL1101900

C=CCn1c(SC)nc2sc(C)c(C)c2c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.77
▸ ALDH1A1 P00352 4/20 0.77
▸ MAPT P10636 6/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ NPSR1 Q6W5P4 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.61
▸ GFER P55789 1/20 0.61
▸ POLB P06746 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ USP2 O75604 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ CREBBP Q92793 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ HTT P42858 1/20 0.50

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
SCHEMBL5805451 0.84 ALDH1A1 (0.77) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL1101912 0.77 ALDH1A1 (0.66) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL1102247 0.77 POLB (0.66) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL19079791 0.76 LMNA (0.70) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL19090711 0.76 LMNA (0.75) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL1101894 0.76 MAPK1 (0.60) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL19079790 0.75 LMNA (0.74) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13407758 0.71 ALDH1A1 (0.68) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL14478929 0.68 MAPK1 (0.62) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9972170 0.64 ALDH1A1 (0.49) LMNAALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
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-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-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 (4 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 1374/4885ALDH1A1 2811/4885MAPT 1883/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 LMNA 1374/4885ALDH1A1 2811/4885MAPT 1883/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 LMNA 1374/4885ALDH1A1 2811/4885MAPT 1883/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 LMNA 1374/4885ALDH1A1 2811/4885MAPT 1883/4885

“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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