SCHEMBL4855255

SCHEMBL4855255

O=C1COc2ccc(C(=O)CCCCN(CCc3cccc(F)c3)C(=O)O)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.44
NR3C2 P08235 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43
BLM P54132 1/20 0.43
GAA P10253 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGES O14684 1/20 0.42

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
SCHEMBL4853743 0.91 MAPT (0.53) MAPTALDH1A1KDM4ERXFP1CASP3
SCHEMBL4860859 0.90 MAPT (0.52) MAPTALDH1A1KDM4ERXFP1CASP3
SCHEMBL4858430 0.90 ALDH1A1 (0.50) MAPTALDH1A1KDM4ERXFP1CASP3
SCHEMBL6035154 0.89 MAPT (0.50) MAPTALDH1A1KDM4ENR3C2RXFP1
SCHEMBL4855459 0.88 MAPT (0.47) MAPTALDH1A1KDM4ERXFP1POLB
SCHEMBL6034208 0.88 ALDH1A1 (0.51) MAPTALDH1A1KDM4ENR3C2RXFP1
Hydrochloric Acid SCHEMBL4858476 0.88 MAPT (0.49) MAPTALDH1A1KDM4ENR3C2RXFP1
SCHEMBL4860604 0.87 ALDH1A1 (0.47) MAPTALDH1A1KDM4ERXFP1CASP3
Hydrochloric Acid SCHEMBL4854915 0.87 ALDH1A1 (0.51) MAPTALDH1A1KDM4ENR3C2RXFP1
SCHEMBL4858884 0.86 ALDH1A1 (0.48) MAPTALDH1A1KDM4ERXFP1CASP3

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 MAPT 1965/4885ALDH1A1 118/4885KDM4E 3792/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MAPT 1965/4885ALDH1A1 118/4885KDM4E 3792/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAPT 1584/4885ALDH1A1 212/4885KDM4E 3707/4885

“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.