SCHEMBL10095294

SCHEMBL10095294

CCn1cc(-c2ccn[nH]2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA9 Q16790 5/20 0.48
CA2 P00918 4/20 0.48
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
NR4A2 P43354 1/20 0.40
ABL1 P00519 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
COMT P21964 1/20 0.39
KRAS P01116 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK8 P45983 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL982663 0.80 NOTUM (0.52) CA12CA1CA9CA2HTR7
SCHEMBL10193353 0.78 COMT (0.49) CA12CA1CA9CA2HTR7
SCHEMBL10095293 0.78 CA12 (0.43) CA12CA1CA9CA2HTR7
SCHEMBL10095301 0.77 DHFR (0.47) CA12CA1CA9CA2HTR7
SCHEMBL982901 0.77 CA12 (0.45) CA12CA1CA9CA2HTR7
SCHEMBL982237 0.75 HTR7 (0.44) CA12CA1CA9CA2HTR7
SCHEMBL20604768 0.74 NR4A2 (0.48) HTR7HTR6NR4A2KDM4EMEN1
SCHEMBL14467647 0.74 NR4A2 (0.48) CA12CA1CA9CA2HTR7
SCHEMBL980378 0.73 NR4A2 (0.57) NR4A2KDM4EMEN1KMT2AALDH1A1
SCHEMBL979534 0.73 NR4A2 (0.47) HTR7HTR6NR4A2KDM4EMEN1

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 13 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-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 CA12 4397/4885CA1 4603/4885CA9 4780/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CA12 1807/4885CA1 3120/4885CA9 3375/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP CA12 2269/4885CA1 4155/4885CA9 3940/4885

“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.