SCHEMBL944682

SCHEMBL944682

Cc1c[c]c2cccc(C(F)(F)F)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 3/20 0.34
PARP1 P09874 1/20 0.34
NOTUM Q6P988 1/20 0.33
MPL P40238 1/20 0.33
CD38 P28907 4/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
ESR1 P03372 1/20 0.32
KCNH2 Q12809 1/20 0.32
P2RX7 Q99572 1/20 0.32
AXL P30530 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1501813 0.83 ALDH1A1 (0.35) ALDH1A1L3MBTL1KMT2ANPSR1MEN1
SCHEMBL1933757 0.79 SMN1; SMN2 (0.33) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL315820 0.78 TP53 (0.37) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL22093016 0.72 NQO2 (0.47) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL30019238 0.71 METAP2 (0.55) ALDH1A1L3MBTL1KMT2ANPSR1MEN1
SCHEMBL849098 0.70 NCF1 (0.38) ALDH1A1KMT2AMEN1HSD11B1PARP1
SCHEMBL6479303 0.67 KDM4E (0.59) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL7757386 0.64 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1PARP1
SCHEMBL6479300 0.64 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1PARP1
SCHEMBL9494183 0.64 CD38 (0.44) ALDH1A1L3MBTL1GAAMAPTPARP1

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 8 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
WO-2009143178-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2009-11-26 WO disclosed
EP-2083819-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2009-08-05 EP 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 (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 ALDH1A1 2782/4885L3MBTL1 2632/4885KMT2A 2226/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2928/4885L3MBTL1 2586/4885KMT2A 2232/4885

“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.