SCHEMBL4860773

SCHEMBL4860773

Cn1c(=O)n(C)c2cc(-c3cccc(CCN(CCCCC=O)C(=O)O)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
PKM P14618 2/20 0.39
GRM2 Q14416 2/20 0.36
MAPK14 Q16539 4/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.33
BCL2 P10415 1/20 0.33

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
SCHEMBL4860073 0.87 GRM2 (0.35) MAPK1PKMGRM2MAPK14BRD4
SCHEMBL4854950 0.82 BRD4 (0.42) MAPK1PKMBRD4ALDH1A1
SCHEMBL4861413 0.80 BRD4 (0.42) MAPK1PKMBRD4ALDH1A1
SCHEMBL4858452 0.79 GAA (0.36) GRM2MAPK14BRD4ALDH1A1SMN1; SMN2
SCHEMBL4860923 0.77 TP53 (0.35) ALDH1A1LMNAKMT2A
SCHEMBL4860321 0.75 CYP11B1 (0.48) ALDH1A1LMNAKMT2A
SCHEMBL4860037 0.75 TP53 (0.34) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4862331 0.74 HTT (0.42) PKMBRD4ALDH1A1
SCHEMBL4860764 0.73 ALDH1A1 (0.48) MAPK1PKMBRD4ALDH1A1GLA
SCHEMBL4855170 0.72 ACLY (0.42) BRD4ALDH1A1

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 5 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-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
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 (2 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 MAPK1 2501/4885PKM 3404/4885GRM2 778/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAPK1 4161/4885PKM 3713/4885GRM2 1209/4885

“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.