SCHEMBL4860037

SCHEMBL4860037

CCOc1ccc(-c2ccc3c(c2)n(C)c(=O)n3C)cc1NCCN(CCCCC=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.34
TRIM24 O15164 1/20 0.33
BRD1 O95696 1/20 0.33
BRPF1 P55201 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BRPF3 Q9ULD4 1/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4860923 0.85 TP53 (0.35) TP53MAPTPOLBLMNAALDH1A1
SCHEMBL4855063 0.78 TP53 (0.44) TP53TRIM24MAPTPOLBLMNA
SCHEMBL4854950 0.78 BRD4 (0.42) TP53TRIM24BRD1BRPF1BAZ2B
SCHEMBL4861413 0.78 BRD4 (0.42) TP53BRPF1MAPTALDH1A1KDM4E
SCHEMBL4860032 0.76 LMNA (0.40) TP53BRPF1MAPTLMNAL3MBTL1
SCHEMBL4858452 0.75 GAA (0.36) TP53TRIM24BRD1BRPF1BAZ2B
SCHEMBL4856763 0.75 TP53 (0.33) TP53MAPTPOLBLMNAALDH1A1
SCHEMBL4860773 0.75 MAPK1 (0.39) LMNAALDH1A1SMN1; SMN2
SCHEMBL4857557 0.69 LMNA (0.42) TP53TRIM24MAPTLMNASMN1; SMN2
SCHEMBL4850092 0.68 BRD4 (0.40) TP53BRPF1MAPTALDH1A1KDM4E

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 TP53 4560/4885TRIM24 2031/4885BRD1 2355/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TP53 4560/4885TRIM24 2031/4885BRD1 2355/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TP53 4160/4885TRIM24 2922/4885BRD1 3293/4885

“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.