SCHEMBL1301740

SCHEMBL1301740

COc1ccc(-c2nc(C(=O)N3CCCC3)co2)c2c1oc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.46
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ MAPT P10636 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
SCHEMBL1302480 0.89 ALDH1A1 (0.48) PDE4BNPC1RAB9AHPGDALDH1A1
SCHEMBL1301169 0.86 LMNA (0.42) PDE4BHPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL1302513 0.85 PDE4B (0.49) PDE4BNPC1RAB9AHPGDALDH1A1
SCHEMBL1301343 0.84 PDE4B (0.49) PDE4BNPC1RAB9AALDH1A1LMNA
SCHEMBL1301330 0.83 LMNA (0.40) PDE4BHPGDALDH1A1TSHRLMNA
SCHEMBL1302792 0.82 PDE4B (0.54) PDE4BNPC1RAB9AALDH1A1LMNA
SCHEMBL1301559 0.81 PDE4B (0.47) PDE4BRAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL1301387 0.80 PDE4B (0.67) PDE4BNPC1RAB9AALDH1A1LMNA
SCHEMBL1301332 0.77 PDE4B (0.74) PDE4B
SCHEMBL1301900 0.74 PDE4B (0.57) PDE4BRAB9AHPGDALDH1A1SMN1; SMN2

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 9 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
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 2/4885NPC1 1228/4885RAB9A 1842/4885

“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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