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Sugi Predict / Compounds / SCHEMBL981643

SCHEMBL981643

SCHEMBL981643

CCCC[Sn](CCCC)(CCCC)c1c(C#N)c2ccc(OC)cc2n1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ DYRK1A Q13627 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL981054 0.79 KDM4E (0.53) KDM4EMAPK1HTTMAPTTDP1
SCHEMBL981503 0.76 KDM4E (0.51) KDM4EMAPK1HTTMAPTTDP1
SCHEMBL1075719 0.75 MAPT (0.40) KDM4EMAPK1HTTMAPTTDP1
SCHEMBL10095252 0.74 GRIK2 (0.60) KDM4EMAPK1HTTMAPTTDP1
SCHEMBL10252623 0.74 KDM4E (0.49) KDM4EMAPK1HTTMAPTTDP1
SCHEMBL979645 0.74 KDM4E (0.49) KDM4EMAPK1HTTMAPTTDP1
SCHEMBL13198561 0.73 GRIK2 (0.47) KDM4EMAPK1HTTMAPTTDP1
SCHEMBL10095253 0.72 GRIK2 (0.62) KDM4EMAPK1HTTMAPTTDP1
SCHEMBL10097238 0.71 GRIK2 (0.56) KDM4EMAPK1HTTMAPTTDP1
SCHEMBL4794925 0.71 GRIK2 (0.50) KDM4EMAPK1HTTMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 — — US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 — — US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 — — US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 — — US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 — — US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 — — US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 — — US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 — — US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 — — US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 — — US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 — — EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 — — US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 — — US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 — — WO 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 (9 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 KDM4E 433/4885MAPK1 3303/4885HTT 1585/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MAPK1 4248/4885HTT 3147/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS KDM4E 3422/4885MAPK1 4616/4885HTT 4087/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KDM4E 3703/4885MAPK1 4384/4885HTT 3355/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MAPK1 4248/4885HTT 3147/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MAPK1 4248/4885HTT 3147/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MAPK1 4248/4885HTT 3147/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MAPK1 4248/4885HTT 3147/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS KDM4E 3703/4885MAPK1 4384/4885HTT 3355/4885

“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.