SCHEMBL3260484

SCHEMBL3260484

Cc1ccc(-n2ccc(C(=O)O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.55
TUBB P07437 7/20 0.55
TUBA3C P0DPH7 7/20 0.55
TUBA1B P68363 7/20 0.55
TUBA4A P68366 7/20 0.55
TUBB4B P68371 7/20 0.55
TUBB3 Q13509 7/20 0.55
TUBB2A Q13885 7/20 0.55
TUBB8 Q3ZCM7 7/20 0.55
TUBA3E Q6PEY2 7/20 0.55
TUBA1A Q71U36 7/20 0.55
TUBA1C Q9BQE3 7/20 0.55
TUBB6 Q9BUF5 7/20 0.55
TUBB2B Q9BVA1 7/20 0.55
TUBB1 Q9H4B7 7/20 0.55
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SRD5A2 P31213 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44

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
SCHEMBL27933808 0.84 TPMT (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31575859 0.84 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2336592 0.82 COMT (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL182280 0.82 ADH5 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6052518 0.81 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4645055 0.81 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27911610 0.81 COMT (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3264192 0.81 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15167972 0.81 NPSR1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15167579 0.80 CA12 (0.54) ALDH1A1CA12CA1CA9CA2

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-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
EP-2657230-A1 AMIDE DERIVATIVE AND USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-30 EP disclosed
EP-2657230-A1 AMIDE DERIVATIVE AND USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-30 EP disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 US disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 US disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 US disclosed
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
CN-1249033-C Cyclic amp-specific phosphodiesterase inhibitors ICOS CORP (US) 2006-04-05 CN disclosed
CN-1434799-A Cyclic amp-specific phosphodiesterase inhibitors ICOS CORP (US) 2003-08-06 CN 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-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF IL2, IL4, IL5 TUBB4A 2415/4885TUBB 1990/4885TUBA3C 2964/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB TUBB4A 1031/4885TUBB 729/4885TUBA3C 1195/4885

“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.