SCHEMBL1301623

SCHEMBL1301623

COc1ccc(-c2nc(C)c(C(=O)O)s2)c2c1oc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDM4E B2RXH2 6/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RAB9A P51151 4/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ MAOA P21397 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ EDNRB P24530 1/20 0.38

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
SCHEMBL1301467 0.88 PDE4B (0.53) PDE4BSMN1; SMN2KDM4EKMT2ARAB9A
SCHEMBL1301515 0.82 PDE4B (0.75) PDE4BKMT2A
SCHEMBL1302356 0.81 PDE4B (0.69) PDE4BKDM4ERAB9ANPC1MAOA
SCHEMBL1300962 0.77 PDE4B (0.53) PDE4BKDM4EKMT2ARAB9ANPC1
SCHEMBL1302302 0.77 PDE4B (0.70) PDE4BSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL1303008 0.76 PDE4B (0.68) PDE4BKDM4EKMT2ARAB9ANPC1
SCHEMBL3436652 0.76 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL1300889 0.75 PDE4B (0.57) PDE4BKDM4ERAB9ANPC1MAOA
SCHEMBL1301436 0.75 PDE4B (0.64) PDE4BSMN1; SMN2KDM4EKMT2ARAB9A
SCHEMBL1302513 0.74 PDE4B (0.49) PDE4BSMN1; SMN2KDM4EKMT2ARAB9A

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 13 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
EP-2379538-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Orchid Research Laboratories Limited (IN) 2011-10-26 — — EP claimed
WO-2010084402-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-29 — — WO 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
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
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 2/4885SMN1; SMN2 3695/4885KDM4E 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.

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