SCHEMBL981509

SCHEMBL981509

CCn1cc(C#N)c2cc(Br)ccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ GAA P10253 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PFKFB3 Q16875 7/20 0.47
▸ PFKFB1 P16118 6/20 0.47
▸ PFKFB2 O60825 5/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KRAS P01116 1/20 0.47
▸ CYP19A1 P11511 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10095336 0.88 SMN1; SMN2 (0.57) SMN1; SMN2GAANPSR1KRASCYP19A1
SCHEMBL10095347 0.88 SMN1; SMN2 (0.47) SMN1; SMN2GAANPSR1PFKFB3PFKFB1
SCHEMBL10095354 0.81 SMN1; SMN2 (0.50) SMN1; SMN2GAAPFKFB3PFKFB1PFKFB2
SCHEMBL29992283 0.80 XDH (0.55) SMN1; SMN2GAANPSR1PFKFB3PFKFB1
SCHEMBL10095398 0.79 PFKFB3 (0.48) SMN1; SMN2GAAPFKFB3PFKFB1PFKFB2
SCHEMBL2417482 0.79 IMPDH2 (0.59) SMN1; SMN2GAANPSR1KRAS
SCHEMBL7292220 0.77 ALDH1A1 (0.66) SMN1; SMN2LMNAMEN1ALDH1A1TSHR
SCHEMBL31748494 0.76 SMN1; SMN2 (0.49) SMN1; SMN2GAANPSR1KRAS
SCHEMBL13152593 0.76 LMNA (0.50) SMN1; SMN2GAALMNACYP19A1
SCHEMBL19626268 0.76 LMNA (0.50) SMN1; SMN2GAALMNAKRASCYP19A1

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 49 patents — showing the first 20. 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 — — US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 — — US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 — — US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 — — US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
CN-101027051-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2007-08-29 — — CN disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 — — EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 — — US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 — — US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 — — WO 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 (6 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS SMN1; SMN2 4206/4885GAA 316/4885NPSR1 2609/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS SMN1; SMN2 4525/4885GAA 163/4885NPSR1 1853/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS SMN1; SMN2 3609/4885GAA 667/4885NPSR1 3320/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS SMN1; SMN2 3609/4885GAA 667/4885NPSR1 3320/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS SMN1; SMN2 4525/4885GAA 163/4885NPSR1 1853/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP SMN1; SMN2 4565/4885GAA 68/4885NPSR1 2722/4885

“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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