SCHEMBL4850112

SCHEMBL4850112

O=C1COc2ccc(C(=O)CCCCN(CCc3ccccc3F)C(=O)O)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 6/20 0.48
RXFP1 Q9HBX9 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
GAA P10253 1/20 0.46
USP2 O75604 2/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
PTGES O14684 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL4861331 0.90 CASP3 (0.54) ALDH1A1KDM4EMAPTRXFP1CASP3
SCHEMBL4855307 0.89 CASP3 (0.54) ALDH1A1KDM4EMAPTRXFP1CASP3
SCHEMBL6035021 0.89 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTRXFP1CASP3
SCHEMBL13987124 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTRXFP1CASP3
SCHEMBL4853743 0.88 MAPT (0.53) ALDH1A1KDM4EMAPTRXFP1CASP3
SCHEMBL6034254 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTRXFP1CASP3
Hydrochloric Acid SCHEMBL4858447 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTRXFP1CASP3
SCHEMBL4860859 0.87 MAPT (0.52) ALDH1A1KDM4EMAPTRXFP1CASP3
Hydrochloric Acid SCHEMBL4850578 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTRXFP1CASP3
SCHEMBL4858780 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTRXFP1CASP3

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

“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.