SCHEMBL4861393

SCHEMBL4861393

O=C1COc2ccc(C(=O)CCCCCBr)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPT P10636 5/20 0.67
RXFP1 Q9HBX9 2/20 0.55
PKM P14618 3/20 0.54
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
USP2 O75604 1/20 0.50
DNMT1 P26358 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL4850707 0.88 ALDH1A1 (0.74) ALDH1A1MAPTRXFP1PKMGAA
SCHEMBL27593103 0.88 ALDH1A1 (0.67) ALDH1A1MAPTRXFP1PKMGAA
SCHEMBL9594735 0.87 ALDH1A1 (0.55) ALDH1A1MAPTRXFP1PKMGAA
SCHEMBL4289121 0.86 ALDH1A1 (0.71) ALDH1A1MAPTRXFP1PKMGAA
SCHEMBL4291442 0.85 ALDH1A1 (0.75) ALDH1A1MAPTRXFP1PKMGAA
SCHEMBL28753565 0.84 ALDH1A1 (0.62) ALDH1A1MAPTRXFP1PKMGAA
SCHEMBL7341640 0.83 ALDH1A1 (0.71) ALDH1A1MAPTRXFP1PKMGAA
SCHEMBL4173560 0.83 ALDH1A1 (0.80) ALDH1A1MAPTRXFP1PKMGAA
SCHEMBL10652999 0.80 MAPT (0.78) ALDH1A1MAPTRXFP1PKMGAA
SCHEMBL4264178 0.80 ALDH1A1 (0.75) ALDH1A1MAPTRXFP1PKMGAA

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
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 118/4885MAPT 1965/4885RXFP1 128/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885MAPT 1965/4885RXFP1 128/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885MAPT 1584/4885RXFP1 683/4885

“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.