SCHEMBL945956

SCHEMBL945956

Clc1ccccc1Cn1[c]nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.50
NOD2 Q9HC29 2/20 0.50
NOD1 Q9Y239 2/20 0.50
TP53 P04637 3/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTK2 Q05397 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALOX5AP P20292 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 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
SCHEMBL356141 0.80 TNF (0.47) TNFSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL944723 0.79 TDP1 (0.51) TNFNOD2NOD1TP53TSHR
SCHEMBL1650533 0.74 RAB9A (0.48) TP53TSHRMAPTHTTSMN1; SMN2
SCHEMBL16756519 0.73 TSHR (0.52) TNFTP53TSHRMAPTSMN1; SMN2
SCHEMBL1381878 0.72 SLC9A1 (0.44) TP53TSHRMAPTHTTSMN1; SMN2
SCHEMBL2103982 0.72 POLB (0.39) TSHRMAPTHTTLMNATDP1
SCHEMBL2541667 0.71 HTT (0.52) TP53MAPTHTTSMN1; SMN2LMNA
SCHEMBL5000372 0.70 MAPT (0.38) MAPTHTTSMN1; SMN2TDP1ALDH1A1
SCHEMBL8450128 0.70 TSHR (0.49) TP53TSHRMAPTHTTSMN1; SMN2
SCHEMBL4737092 0.69 SLC9A1 (0.34) TNFTP53MAPTHTTSMN1; SMN2

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 5 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-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-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 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 (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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A TNF 3557/4885NOD2 2445/4885NOD1 3311/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A TNF 3697/4885NOD2 2409/4885NOD1 3292/4885

“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.