SCHEMBL10097356

SCHEMBL10097356

COc1ccc2c(C#N)c(-c3ccccc3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
TUBB4A P04350 3/20 0.53
TUBB P07437 3/20 0.53
TUBA3C P0DPH7 3/20 0.53
TUBA1B P68363 3/20 0.53
TUBA4A P68366 3/20 0.53
TUBB4B P68371 3/20 0.53
TUBB3 Q13509 3/20 0.53
TUBB2A Q13885 3/20 0.53
TUBB8 Q3ZCM7 3/20 0.53
TUBA3E Q6PEY2 3/20 0.53
TUBA1A Q71U36 3/20 0.53
TUBA1C Q9BQE3 3/20 0.53
TUBB6 Q9BUF5 3/20 0.53
TUBB2B Q9BVA1 3/20 0.53
TUBB1 Q9H4B7 3/20 0.53
KMT2A Q03164 4/20 0.52

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
SCHEMBL10097341 0.90 MAPK13 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL15058476 0.89 HTR1A (0.55) ALDH1A1KDM4EHPGDTUBB4ATUBB
SCHEMBL10097344 0.88 MAOA (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDTUBB4A
SCHEMBL10097345 0.86 MAOA (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDTUBB4A
SCHEMBL10097329 0.86 MAPK13 (0.61) ALDH1A1SMN1; SMN2KDM4EHPGDTUBB4A
SCHEMBL10097343 0.86 PIM1 (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDTUBB4A
SCHEMBL10097312 0.84 MAOA (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDTUBB4A
SCHEMBL10097330 0.84 MAOA (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDTUBB4A
SCHEMBL12334854 0.82 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDTUBB4A
SCHEMBL10097691 0.82 MTNR1A (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDTUBB4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (2 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 591/4885SMN1; SMN2 4525/4885KDM4E 3703/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885SMN1; SMN2 4565/4885KDM4E 4208/4885

“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.