SCHEMBL3788490

SCHEMBL3788490

COc1ccc(Cc2ccc(F)cc2)c(N)c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2A P28223 1/20 0.39
KMT2A Q03164 3/20 0.39
GPR55 Q9Y2T6 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LTA4H P09960 1/20 0.36
DHFR P00374 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9538832 0.86 GAA (0.43) GAAHTTMAPTTSHRMAPK1
SCHEMBL3791470 0.78 NPC1 (0.37) GAAMAPTMAPK1HTR2AKMT2A
SCHEMBL3890253 0.75 MEN1 (0.51) GAAHTTMAPTHTR2AKMT2A
SCHEMBL3038603 0.75 GAA (0.69) GAAHTTMAPTTSHRMAPK1
SCHEMBL15906106 0.72 SMN1; SMN2 (0.41) GAAMAPTTSHRMAPK1KMT2A
SCHEMBL9538789 0.72 ALDH1A1 (0.46) GAAKMT2AALDH1A1CA2POLB
SCHEMBL9535895 0.72 CNR1 (0.41) GAAGPR55CNR1CNR2ALDH1A1
SCHEMBL3153666 0.72 KMT2A (0.56) GAAMAPTMAPK1KMT2AALDH1A1
SCHEMBL3788345 0.71 MAPT (0.54) GAAHTTMAPTMAPK1HTR2A
SCHEMBL23647861 0.71 MAPT (0.44) GAAHTTMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 EP disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B GAA 530/4885HTT 3498/4885MAPT 1932/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B GAA 530/4885HTT 3498/4885MAPT 1932/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B GAA 530/4885HTT 3498/4885MAPT 1932/4885

“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.