SCHEMBL10095336

SCHEMBL10095336

CCCn1cc(C#N)c2cc(Br)ccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ XDH P47989 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KRAS P01116 1/20 0.45
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL981509 0.88 SMN1; SMN2 (0.60) SMN1; SMN2GAANPSR1KRASCYP19A1
SCHEMBL2417482 0.80 IMPDH2 (0.59) SMN1; SMN2GAAXDHNPSR1KRAS
SCHEMBL31049264 0.78 SMN1; SMN2 (0.45) SMN1; SMN2GAANPSR1KRASMAPT
SCHEMBL29992283 0.77 XDH (0.55) SMN1; SMN2GAAXDHNPSR1KRAS
SCHEMBL13152564 0.77 DYRK1A (0.43) SMN1; SMN2MAPTCYP19A1
SCHEMBL10095347 0.76 SMN1; SMN2 (0.47) SMN1; SMN2GAANPSR1KRASMAPT
SCHEMBL31748494 0.74 SMN1; SMN2 (0.49) SMN1; SMN2GAAXDHNPSR1KRAS
SCHEMBL19208218 0.73 SMN1; SMN2 (0.69) SMN1; SMN2GAANPSR1KRASMAPT
SCHEMBL24853984 0.73 SMN1; SMN2 (0.53) SMN1; SMN2GAAXDHNPSR1KRAS
SCHEMBL30173391 0.73 SMN1; SMN2 (0.53) SMN1; SMN2GAAXDHNPSR1KRAS

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 SMN1; SMN2 4841/4885GAA 3537/4885XDH 2674/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS SMN1; SMN2 4525/4885GAA 163/4885XDH 160/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP SMN1; SMN2 4565/4885GAA 68/4885XDH 619/4885

“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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