SCHEMBL7757607

SCHEMBL7757607

NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
TP53 P04637 4/20 0.64
NPSR1 Q6W5P4 2/20 0.64
POLB P06746 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 2/20 0.63
LMNA P02545 2/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59

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
SCHEMBL13258290 0.91 MAPT (0.66) L3MBTL1TP53NPSR1POLBSMN1; SMN2
SCHEMBL15766067 0.79 TGM2 (0.59) POLBSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL943551 0.79 L3MBTL1 (0.71) L3MBTL1TP53NPSR1SMN1; SMN2MAPT
SCHEMBL17068754 0.79 L3MBTL1 (1.00) L3MBTL1NPSR1SMN1; SMN2HDAC3HDAC4
SCHEMBL17109045 0.78 KMT2A (0.73) L3MBTL1TP53NPSR1POLBMAPT
SCHEMBL7763084 0.77 POLB (0.64) POLBSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL17109046 0.76 NPSR1 (0.68) L3MBTL1NPSR1POLBMAPTLMNA
SCHEMBL15766059 0.76 CA2 (0.70) NPSR1POLBLMNAALDH1A1GAA
SCHEMBL8368585 0.76 L3MBTL1 (0.64) L3MBTL1NPSR1SMN1; SMN2LMNAALDH1A1
SCHEMBL17913889 0.75 ALDH1A1 (0.79) L3MBTL1NPSR1POLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed
US-20150265608-A1 Compounds for Treating Rac-GTPase Mediated Disorder CHILDREN'S MEDICAL CENTER CORPORATION 2015-09-24 US disclosed
US-20150265608-A1 Compounds for Treating Rac-GTPase Mediated Disorder CHILDREN'S MEDICAL CENTER CORPORATION 2015-09-24 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
WO-2010096830-A2 METHOD TO TREAT PSORIASIS AND OTHER HYPERPROLIFERATIVE SKIN DISORDERS CORNELL UNIVERSITY (US) 2010-08-26 WO disclosed
WO-2009143178-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2009-11-26 WO disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
WO-2008064342-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-05-29 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 (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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A L3MBTL1 2632/4885TP53 3634/4885NPSR1 153/4885
US-20150265608-A1 Compounds for Treating Rac-GTPase Mediated Disorder ARHGEF2, ARHGDIB, ARHGDIA L3MBTL1 626/4885TP53 1888/4885NPSR1 4509/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A L3MBTL1 2586/4885TP53 3598/4885NPSR1 133/4885

“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.