SCHEMBL10095615

SCHEMBL10095615

CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
EPHX2 P34913 2/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 3/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RORC P51449 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 4/20 0.38
MGLL Q99685 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
SCHEMBL10095614 0.93 ALDH1A1 (0.43) HPGDMEN1KMT2AHTTCYP1A2
SCHEMBL10095792 0.90 PFKFB2 (0.43) HPGDCYP1A2ALDH1A1MAPTCYP2C19
SCHEMBL10095685 0.89 GRIK2 (0.45) HPGDMEN1KMT2AHTTCYP1A2
SCHEMBL10095662 0.86 MAPT (0.43) HPGDMEN1KMT2AHTTALDH1A1
SCHEMBL10095776 0.83 MAPT (0.47) HPGDMEN1KMT2AHTTALDH1A1
SCHEMBL10095487 0.83 HPGD (0.43) HPGDMEN1KMT2AHTTCYP1A2
SCHEMBL10095789 0.82 PFKFB2 (0.44) HPGDKMT2AALDH1A1MAPTKDM4E
SCHEMBL10095683 0.82 GRIK2 (0.43) HPGDMEN1KMT2AHTTCYP1A2
SCHEMBL10095757 0.82 HPGD (0.41) HPGDMEN1KMT2AHTTCYP1A2
SCHEMBL10095681 0.81 GRIK2 (0.49) HPGDMEN1KMT2AHTTALDH1A1

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-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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO 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 HPGD 3067/4885EPHX2 3733/4885MEN1 4550/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HPGD 1033/4885EPHX2 1777/4885MEN1 4815/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP HPGD 1854/4885EPHX2 2880/4885MEN1 4860/4885

“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.