SCHEMBL10095413

SCHEMBL10095413

CCn1c(C#Cc2cccc(O)c2)c(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
GRM5 P41594 8/20 0.37
CTSK P43235 1/20 0.35
FFAR1 O14842 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
KIF11 P52732 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
PGK1 P00558 1/20 0.32
PTPN1 P18031 2/20 0.32
EPM2A O95278 1/20 0.32

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
SCHEMBL10095402 0.88 GRM5 (0.43) S1PR1GRM5CTSKFFAR1MRGPRX4
SCHEMBL10095394 0.86 KDM4E (0.37) S1PR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL10095403 0.86 GRM5 (0.45) S1PR1GRM5KDM4EMEN1ALDH1A1
SCHEMBL10252736 0.85 GRM5 (0.36) S1PR1GRM5FFAR1KIF11PTPN1
SCHEMBL10095392 0.83 S1PR1 (0.38) S1PR1GRM5CTSKKDM4EALDH1A1
SCHEMBL10095372 0.82 L3MBTL1 (0.43) GRM5FFAR1KDM4EMEN1ALDH1A1
SCHEMBL10095391 0.82 S1PR1 (0.38) S1PR1GRM5CTSKKDM4EMEN1
SCHEMBL10095393 0.80 S1PR1 (0.36) S1PR1CTSKKIF11PTPN1PTPN6
SCHEMBL10095414 0.80 S1PR1 (0.36) S1PR1KDM4EMEN1LMNAMAPT
SCHEMBL10095395 0.80 L3MBTL1 (0.46) GRM5KDM4EMEN1ALDH1A1LMNA

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-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-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-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 S1PR1 2774/4885GRM5 2945/4885CTSK 2947/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS S1PR1 2195/4885GRM5 3175/4885CTSK 587/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP S1PR1 2275/4885GRM5 3922/4885CTSK 113/4885

“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.