SCHEMBL15906170

SCHEMBL15906170

COc1ccc(CN)cc1-c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
PDE4D Q08499 2/20 0.44
CASR P41180 1/20 0.44
PDE4B Q07343 5/20 0.43
HSD17B10 Q99714 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
ALOX5 P09917 1/20 0.43
GABRA1 P14867 1/20 0.43

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
SCHEMBL15906195 0.93 PDE4D (0.48) HTR2CSMN1; SMN2TP53HPGDTSHR
SCHEMBL15906186 0.85 TP53 (0.45) HTR2CSMN1; SMN2TP53HPGDTSHR
SCHEMBL15906086 0.85 SMN1; SMN2 (0.45) HTR2CSMN1; SMN2TP53HPGDTSHR
SCHEMBL5991140 0.84 CSNK2A1 (0.53) CASRALOX5GABRA1CNR2GABRB2
SCHEMBL15906141 0.84 MAPT (0.46) HTR2CSMN1; SMN2TP53HPGDTSHR
SCHEMBL15906120 0.82 ACHE (0.52) HTR2CSMN1; SMN2TP53HPGDTSHR
SCHEMBL8067030 0.80 PDE4D (0.49) SMN1; SMN2TSHRLMNAPDE4DPDE4B
SCHEMBL15906176 0.80 GAA (0.55) SMN1; SMN2TP53HPGDTSHRLMNA
SCHEMBL15906113 0.80 PDE4D (0.49) SMN1; SMN2TP53HPGDTSHRLMNA
SCHEMBL15906108 0.79 PDE4D (0.48) SMN1; SMN2TP53HPGDTSHRLMNA

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 2 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

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HTR2C 1318/4885SMN1; SMN2 869/4885TP53 4860/4885

“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.