SCHEMBL1101914

SCHEMBL1101914

CCn1c(SC)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.76
▸ ATM Q13315 1/20 0.76
▸ ALDH1A1 P00352 5/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ TDP1 Q9NUW8 5/20 0.68
▸ RECQL P46063 4/20 0.68
▸ NR4A1 P22736 2/20 0.68
▸ PTPN7 P35236 2/20 0.68
▸ APEX1 P27695 1/20 0.68
▸ APOBEC3A P31941 1/20 0.68
▸ APOBEC3G Q9HC16 1/20 0.68
▸ THRB P10828 1/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.65
▸ BCL2L1 Q07817 1/20 0.65
▸ MCL1 Q07820 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ MAPT P10636 5/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64

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
SCHEMBL1101912 0.85 ALDH1A1 (0.66) POLBATMALDH1A1SMN1; SMN2TDP1
SCHEMBL19079854 0.84 PDE4D (0.67) POLBATMALDH1A1SMN1; SMN2TDP1
SCHEMBL1102247 0.83 POLB (0.66) POLBATMALDH1A1SMN1; SMN2TDP1
SCHEMBL1101960 0.83 ALDH1A1 (1.00) POLBATMALDH1A1SMN1; SMN2MAPT
SCHEMBL13856555 0.81 POLB (1.00) POLBATMALDH1A1SMN1; SMN2TDP1
SCHEMBL14478791 0.81 ALDH1A1 (0.77) POLBATMALDH1A1SMN1; SMN2TDP1
SCHEMBL8002634 0.80 MAPT (0.67) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL13856689 0.79 POLB (1.00) POLBATMALDH1A1SMN1; SMN2TDP1
SCHEMBL19079750 0.79 ALDH1A1 (0.73) POLBATMALDH1A1SMN1; SMN2MAPT
SCHEMBL13407753 0.78 MAPT (0.78) POLBALDH1A1RECQLL3MBTL1MAPT

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 10 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-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

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 POLB 4241/4885ATM 4801/4885ALDH1A1 2811/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 POLB 4241/4885ATM 4801/4885ALDH1A1 2811/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 POLB 4241/4885ATM 4801/4885ALDH1A1 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.

Send feedback