SCHEMBL4854950

SCHEMBL4854950

COc1ccc(-c2ccc3c(c2)n(C)c(=O)n3C)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
ADORA2B P29275 1/20 0.36
ALDH1A1 P00352 2/20 0.34
BRPF1 P55201 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.32
TRIM24 O15164 1/20 0.32
BRD1 O95696 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BRPF3 Q9ULD4 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
SCHEMBL4861413 0.96 BRD4 (0.42) BRD4TP53THRBADORA2BALDH1A1
SCHEMBL4858452 0.89 GAA (0.36) BRD4TP53THRBALDH1A1BRPF1
SCHEMBL4859701 0.89 BRD4 (0.40) BRD4TP53THRBADORA2BALDH1A1
SCHEMBL4850092 0.85 BRD4 (0.40) BRD4TP53THRBADORA2BALDH1A1
SCHEMBL4860773 0.82 MAPK1 (0.39) BRD4ALDH1A1PKMMAPK1
SCHEMBL4860923 0.80 TP53 (0.35) TP53ADORA2BALDH1A1KDM4EGAA
SCHEMBL4861031 0.80 CA14 (0.34) BRD4GAA
SCHEMBL4861459 0.79 MEN1 (0.34) TRIM24
SCHEMBL4859704 0.79 PKM (0.41) BRD4GAATDP1PKMMAPT
SCHEMBL4861301 0.79 ERN1 (0.46) ALDH1A1KDM4E

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 BRD4 2766/4885TP53 4560/4885THRB 1908/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 BRD4 2766/4885TP53 4560/4885THRB 1908/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE BRD4 3524/4885TP53 4160/4885THRB 3542/4885

“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.