SCHEMBL4853253

SCHEMBL4853253

O=C1[C]Cc2cc3[nH]c(=O)[nH]c3cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4855433 0.79 GRIN2D (0.43) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL4853247 0.67 PDE3B (0.38) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL4860712 0.64 GRIN2D (0.38) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL4860788 0.63 PDE3B (0.42) PDE3BPDE3A
SCHEMBL6196729 0.63 MAOB (0.47)
SCHEMBL4855429 0.62 GRIN2D (0.44) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL9379542 0.58 KIF11 (0.50) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL2894232 0.57 PDE3B (0.50) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL640124 0.57 GRIA1 (0.70) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL9703662 0.57 AR (0.52) PDE3BPDE3AGRIN2DGRIN3BGRIN1

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
EP-1640021-A1 PREVENTIVE/REMEDY FOR URINARY DISTURBANCE Takeda Pharmaceutical Company Limited (JP) 2006-03-29 EP disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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 (4 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT PDE3B 121/4885PDE3A 61/4885GRIN2D 2753/4885
US-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PDE3B 27/4885PDE3A 12/4885GRIN2D 1383/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PDE3B 27/4885PDE3A 12/4885GRIN2D 1383/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PDE3B 37/4885PDE3A 21/4885GRIN2D 2793/4885

“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.