SCHEMBL10095263

SCHEMBL10095263

CCCCOc1ccc2c(C#N)cn(CC)c2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.49
PFKFB2 O60825 2/20 0.43
PFKFB1 P16118 2/20 0.43
PFKFB3 Q16875 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL981609 0.89 L3MBTL1 (0.45) L3MBTL1HTTLMNASMN1; SMN2TDP1
SCHEMBL980087 0.85 MEN1 (0.47) L3MBTL1HTTLMNASMN1; SMN2TDP1
SCHEMBL10095242 0.82 MAOB (0.56) L3MBTL1HTTLMNASMN1; SMN2TDP1
SCHEMBL10192258 0.81 L3MBTL1 (0.41) L3MBTL1HTTLMNASMN1; SMN2TDP1
SCHEMBL10095243 0.81 PFKFB3 (0.46) L3MBTL1HTTLMNASMN1; SMN2TDP1
SCHEMBL981244 0.81 PFKFB3 (0.43) L3MBTL1HTTLMNASMN1; SMN2TDP1
SCHEMBL981751 0.80 PFKFB3 (0.45) L3MBTL1HTTLMNASMN1; SMN2TDP1
SCHEMBL982613 0.80 PFKFB3 (0.43) L3MBTL1HTTLMNASMN1; SMN2TDP1
SCHEMBL981317 0.80 HTT (0.50) L3MBTL1HTTLMNASMN1; SMN2TDP1
SCHEMBL984351 0.79 HRH3 (0.45) L3MBTL1HTTLMNASMN1; SMN2TDP1

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 L3MBTL1 938/4885HTT 1585/4885LMNA 4373/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS L3MBTL1 2809/4885HTT 3355/4885LMNA 3101/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP L3MBTL1 3270/4885HTT 4273/4885LMNA 4367/4885

“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.