SCHEMBL1301906

SCHEMBL1301906

COc1ccc(C(N)=S)c2c1oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.41
RAD52 P43351 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 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
SCHEMBL1752409 0.82 MAOA (0.51) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL1750806 0.81 MAOA (0.50) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL5023494 0.78 MAOA (0.53) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL8272454 0.77 ALDH1A1 (0.45) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL12728808 0.75 MAOA (0.50) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL20468053 0.75 MAOA (0.53) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL8271329 0.74 MAPT (0.49) ALDH1A1KDM4ELMNAHPGDMEN1
Hydrochloric Acid SCHEMBL1648077 0.74 CYP17A1 (0.49) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL5025471 0.72 MAPT (0.58) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL5023240 0.72 PDE4B (0.63) ALDH1A1LMNANPC1RAB9ACYP17A1

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-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
EP-2379538-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Orchid Research Laboratories Limited (IN) 2011-10-26 EP 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 MAOA 251/4885ALDH1A1 439/4885KDM4E 1623/4885

“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.