SCHEMBL4860764

SCHEMBL4860764

Cn1c(=O)n(C)c2cc(C(=O)CCCCN(CCc3ccccc3)C(=O)O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GLA P06280 1/20 0.48
DPP4 P27487 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPK1 P28482 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.41
THRA P10827 1/20 0.41

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
SCHEMBL6035084 0.88 THRA (0.49) ALDH1A1SMN1; SMN2GLADPP4KDM4E
SCHEMBL4860067 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GLADPP4KDM4E
Hydrochloric Acid SCHEMBL4861422 0.87 THRA (0.48) ALDH1A1SMN1; SMN2GLADPP4KDM4E
SCHEMBL4862399 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GLAKDM4EHSD17B10
SCHEMBL4854944 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GLAKDM4EHSD17B10
SCHEMBL4861407 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GLAKDM4EHSD17B10
SCHEMBL4858446 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GLAKDM4EHSD17B10
SCHEMBL4860916 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GLAKDM4EHSD17B10
SCHEMBL4862303 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GLADPP4KDM4E
SCHEMBL6034799 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GLADPP4KDM4E

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 ALDH1A1 118/4885SMN1; SMN2 1472/4885GLA 193/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885SMN1; SMN2 1418/4885GLA 78/4885

“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.