SCHEMBL10095481

SCHEMBL10095481

CCNC(=O)c1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YWHAH Q04917 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
HCRTR1 O43613 1/20 0.44
ROCK2 O75116 2/20 0.44
MAPK1 P28482 3/20 0.43
GAA P10253 1/20 0.42
KISS1R Q969F8 1/20 0.42
GRIK2 Q13002 1/20 0.42
MAPK8 P45983 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL10095556 0.89 GRIK2 (0.46) YWHAHKDM4EMAPTALDH1A1RAB9A
SCHEMBL10095480 0.88 PARP1 (0.47) KDM4EMAPTALDH1A1RAB9AHPGD
SCHEMBL13152571 0.86 ROCK2 (0.45) YWHAHKDM4EMAPTALDH1A1RAB9A
SCHEMBL10095587 0.86 MTNR1B (0.46) KDM4EMAPTALDH1A1RAB9AHPGD
SCHEMBL10095479 0.86 CYP2C9 (0.62) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL10095513 0.85 KMT2A (0.53) KDM4EMAPTALDH1A1RAB9AHPGD
SCHEMBL10095510 0.85 CYP2C9 (0.56) KDM4EHPGDMEN1NPC1KMT2A
SCHEMBL10097236 0.84 GRIK2 (0.51) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL10095483 0.83 MAPT (0.47) KDM4EMAPTALDH1A1RAB9AHPGD
SCHEMBL10095532 0.83 MAPT (0.42) KDM4EMAPTALDH1A1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 YWHAH 278/4885KDM4E 433/4885MAPT 3963/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS YWHAH 2257/4885KDM4E 3703/4885MAPT 4416/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP YWHAH 2078/4885KDM4E 4208/4885MAPT 4044/4885

“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.