SCHEMBL7900643

SCHEMBL7900643

COc1ccc(-c2nc3cc(C(=O)NC4CCCC4)ccc3o2)c2c1oc1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.55
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
THRB P10828 2/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 2/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
CXCR6 O00574 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PTGS2 P35354 1/20 0.43
ADORA2B P29275 1/20 0.43
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL7896222 0.94 PDE4B (0.64) PDE4BHDAC6MAPTHPGDNPSR1
SCHEMBL7899071 0.86 HPSE (0.53) PDE4BHDAC6MAPTTHRBTP53
SCHEMBL12108357 0.83 HDAC6 (0.47) PDE4BHDAC6MAPTHPGDNPSR1
SCHEMBL1300959 0.83 PDE4B (0.63) PDE4BMAPTHPGDHTTTP53
SCHEMBL1302151 0.79 PDE4B (0.68) PDE4BMAPTHTTTP53ADORA2A
SCHEMBL7897884 0.78 NPC1 (0.54) PDE4BMAPTHPGDNPSR1THRB
SCHEMBL1301387 0.77 PDE4B (0.67) PDE4BMAPTHTTADORA2AADORA1
SCHEMBL7895251 0.76 PDE4B (0.64) PDE4BMAPTTP53ADORA2AADORA1
SCHEMBL1301812 0.76 PDE4B (0.87) PDE4BHPGDHTTADORA2AADORA1
SCHEMBL1301830 0.76 PDE4B (0.73) PDE4BMAPTHTTTP53ADORA2A

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
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
WO-2010084402-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-29 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 (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-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C PDE4B 2/4885HDAC6 263/4885MAPT 754/4885

“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.