SCHEMBL4860032

SCHEMBL4860032

CCOc1ccccc1NCCN(CCCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.36
BRPF1 P55201 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL13987180 0.90 MAPT (0.37) LMNAL3MBTL1ALDH1A1SMN1; SMN2GLA
SCHEMBL4860916 0.87 ALDH1A1 (0.42) LMNAL3MBTL1ALDH1A1SMN1; SMN2GLA
SCHEMBL6035980 0.86 LMNA (0.43) LMNAL3MBTL1ALDH1A1SMN1; SMN2GLA
Hydrochloric Acid SCHEMBL4858008 0.85 LMNA (0.43) LMNAL3MBTL1ALDH1A1SMN1; SMN2GLA
SCHEMBL4855060 0.78 LMNA (0.46) LMNAALDH1A1MAPTTP53HPGD
SCHEMBL4861407 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GLAMAPTBRPF1
SCHEMBL4854944 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GLAMAPTBRPF1
SCHEMBL4860764 0.78 ALDH1A1 (0.48) LMNAL3MBTL1ALDH1A1SMN1; SMN2GLA
SCHEMBL6035325 0.77 HTR1A (0.44) LMNAL3MBTL1ALDH1A1SMN1; SMN2GLA
Hydrochloric Acid SCHEMBL4862688 0.77 HTR1A (0.45) LMNAL3MBTL1ALDH1A1SMN1; SMN2GLA

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 LMNA 1921/4885L3MBTL1 2659/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 LMNA 1921/4885L3MBTL1 2659/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE LMNA 2218/4885L3MBTL1 2341/4885ALDH1A1 212/4885

“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.