SCHEMBL4926950

SCHEMBL4926950

O=C(NCc1nc2ccccc2[nH]1)c1ccc(-c2ccncc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
MAPK10 P53779 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ROCK1 Q13464 1/20 0.60
POLB P06746 2/20 0.57
RAB9A P51151 2/20 0.54
SLC40A1 Q9NP59 7/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL5000177 0.81 TSHR (0.57) TSHRMAPK10SMN1; SMN2ROCK1POLB
SCHEMBL4930312 0.78 ESRRG (0.74) ROCK1RAB9AHDAC3HDAC4HDAC1
SCHEMBL4924579 0.77 HDAC3 (0.68) SMN1; SMN2ROCK1HDAC3HDAC4HDAC1
SCHEMBL4922596 0.76 HPGD (0.64) SMN1; SMN2ROCK1POLBRAB9AHDAC3
SCHEMBL4926122 0.76 ROCK2 (0.58) ROCK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2573425 0.75 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL4929271 0.74 HPGD (0.57) SMN1; SMN2ROCK1POLBHDAC3HDAC4
SCHEMBL4929281 0.74 HDAC1 (0.57) ROCK1RAB9AHDAC3HDAC4HDAC1
SCHEMBL4927509 0.74 HDAC1 (0.58) SMN1; SMN2ROCK1RAB9AHDAC3HDAC4
SCHEMBL4925658 0.74 KMT2A (0.62) ROCK1RAB9AHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US claimed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP claimed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP claimed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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 (1 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN TSHR 2703/4885MAPK10 314/4885SMN1; SMN2 4242/4885

“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.