SCHEMBL6035904

SCHEMBL6035904

O=C1COc2ccc(C(=O)CCCCNCCc3ccccc3Cl)cc2N1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
KDM4E B2RXH2 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
PTGES O14684 1/20 0.45

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
Hydrochloric Acid SCHEMBL4862512 0.99 ALDH1A1 (0.55) ALDH1A1MAPTCASP3SENP7KDM4E
SCHEMBL6034808 0.99 ALDH1A1 (0.55) ALDH1A1MAPTCASP3SENP7KDM4E
Hydrochloric Acid SCHEMBL4860742 0.98 ALDH1A1 (0.54) ALDH1A1MAPTCASP3SENP7KDM4E
SCHEMBL6035826 0.89 ALDH1A1 (0.60) ALDH1A1MAPTCASP3SENP7KDM4E
Hydrochloric Acid SCHEMBL4850786 0.88 ALDH1A1 (0.59) ALDH1A1MAPTCASP3SENP7KDM4E
SCHEMBL6034819 0.87 ALDH1A1 (0.57) ALDH1A1MAPTCASP3SENP7RXFP1
SCHEMBL6035340 0.86 ALDH1A1 (0.51) ALDH1A1MAPTCASP3SENP7KDM4E
SCHEMBL6035081 0.86 ALDH1A1 (0.51) ALDH1A1MAPTCASP3SENP7KDM4E
Hydrochloric Acid SCHEMBL4861101 0.86 ALDH1A1 (0.50) ALDH1A1MAPTCASP3SENP7KDM4E
SCHEMBL6035048 0.86 ALDH1A1 (0.56) ALDH1A1MAPTCASP3SENP7RXFP1

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 3 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-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US 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 (1 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 1965/4885CASP3 2953/4885

“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.