SCHEMBL10095369

SCHEMBL10095369

CCn1cc(C#N)c2cc(-c3cccs3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.42
▸ MAOA P21397 2/20 0.42
▸ PFKFB2 O60825 3/20 0.41
▸ PFKFB1 P16118 3/20 0.41
▸ PFKFB3 Q16875 3/20 0.41
▸ XDH P47989 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL10252328 0.81 KCNH2 (0.49) NR4A2CNR1CNR2
SCHEMBL984453 0.79 PFKFB2 (0.42) NR4A2PFKFB2PFKFB1PFKFB3XDH
SCHEMBL10095350 0.73 XDH (0.43) NR4A2PFKFB2PFKFB1PFKFB3XDH
SCHEMBL10095398 0.73 PFKFB3 (0.48) PFKFB2PFKFB1PFKFB3XDH
SCHEMBL12950369 0.73 PFKFB3 (0.40) PFKFB2PFKFB1PFKFB3XDH
SCHEMBL12309508 0.73 — —
SCHEMBL981509 0.73 SMN1; SMN2 (0.60) PFKFB2PFKFB1PFKFB3
SCHEMBL10095354 0.73 SMN1; SMN2 (0.50) PFKFB2PFKFB1PFKFB3XDH
SCHEMBL7292220 0.72 ALDH1A1 (0.66) —
SCHEMBL12309617 0.71 — —

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
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 NR4A2 4338/4885MAOA 384/4885PFKFB2 3890/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NR4A2 4227/4885MAOA 732/4885PFKFB2 4129/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP NR4A2 4108/4885MAOA 1660/4885PFKFB2 4202/4885

“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.

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