SCHEMBL4857622

SCHEMBL4857622

Cn1c(=O)[nH]c2cc(C(=O)CCCCN(CCc3ccc(O)cc3Cl)C(=O)O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.35
PPARG P37231 5/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.33
TAF1 P21675 1/20 0.33
MAPT P10636 2/20 0.32
DPP4 P27487 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LMNA P02545 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL4860295 0.90 EPHX2 (0.41) EPHX2PPARGMAOBTP53MAPT
SCHEMBL4856377 0.89 EPHX2 (0.34) EPHX2PPARGMAOBTP53TAF1
SCHEMBL4862303 0.86 ALDH1A1 (0.38) MAPTDPP4KDM4EALDH1A1HPGD
SCHEMBL6034279 0.83 TP53 (0.38) EPHX2PPARGMAOBTP53TAF1
Hydrochloric Acid SCHEMBL4850372 0.82 TP53 (0.37) EPHX2PPARGMAOBTP53TAF1
SCHEMBL4850669 0.82 MAOB (0.35) MAOBS1PR1S1PR3
SCHEMBL13988033 0.79 HTR6 (0.34) EPHX2PPARGTAF1S1PR1S1PR3
SCHEMBL4855139 0.79 EPHX2 (0.39) EPHX2PPARGMAOBTP53MAPT
SCHEMBL4858890 0.78 LIPG (0.30)
SCHEMBL6034829 0.76 PGR (0.39) MAOBTP53MAPTLMNASIGMAR1

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 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
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 (3 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 EPHX2 1836/4885PPARG 2344/4885MAOB 248/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 EPHX2 1836/4885PPARG 2344/4885MAOB 248/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE EPHX2 1463/4885PPARG 1983/4885MAOB 108/4885

“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.