SCHEMBL1300959

SCHEMBL1300959

COc1ccc(-c2nc(C(=O)NC3CCCC3)c(C)o2)c2c1oc1ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.63
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
HIF1A Q16665 1/20 0.44
ADORA2B P29275 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
NR1I2 O75469 1/20 0.40
HPGD P15428 1/20 0.40
AHR P35869 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1302151 0.96 PDE4B (0.68) PDE4BTP53LMNARAB9ANPC1
SCHEMBL7895251 0.93 PDE4B (0.64) PDE4BTP53LMNARAB9ANPC1
SCHEMBL1301830 0.93 PDE4B (0.73) PDE4BTP53LMNARAB9ANPC1
SCHEMBL1301950 0.86 PDE4B (0.50) PDE4BTP53LMNARAB9ANPC1
SCHEMBL1301812 0.84 PDE4B (0.87) PDE4BRAB9ANPC1ADORA2AADORA1
SCHEMBL1301536 0.83 PDE4B (0.49) PDE4BTP53LMNAALDH1A1L3MBTL1
SCHEMBL7900643 0.83 PDE4B (0.55) PDE4BTP53LMNARAB9ANPC1
SCHEMBL1300962 0.83 PDE4B (0.53) PDE4BLMNARAB9ANPC1ALDH1A1
SCHEMBL1301894 0.82 PDE4B (0.53) PDE4BLMNARAB9ANPC1ALDH1A1
SCHEMBL1302124 0.80 TARBP2 (0.52) PDE4BRAB9AALDH1A1KMT2AL3MBTL1

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
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US claimed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US claimed
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-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
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 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-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C PDE4B 2/4885TP53 2639/4885LMNA 2392/4885

“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.