SCHEMBL4859534

SCHEMBL4859534

CN1Cc2cc(C(=O)CCCCCl)ccc2N(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2C P28335 1/20 0.36
MCHR1 Q99705 3/20 0.36
ACHE P22303 2/20 0.35
HRH1 P35367 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HRH2 P25021 1/20 0.34

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
SCHEMBL4856652 0.82 CYP11B2 (0.40) KDM4EL3MBTL1MAPTMCHR1ACHE
SCHEMBL4858109 0.81 ACHE (0.38) KDM4EL3MBTL1MAPTHPGDHTR1A
SCHEMBL6034199 0.78 THRA (0.46) L3MBTL1MAPTACHEALDH1A1SMN1; SMN2
SCHEMBL4889684 0.78 MCHR1 (0.39) KDM4EL3MBTL1MCHR1ACHETSHR
SCHEMBL4889668 0.78 MCHR1 (0.36) KDM4EL3MBTL1MAPTHPGDHTR1A
Hydrochloric Acid SCHEMBL4853622 0.78 THRA (0.45) L3MBTL1MAPTACHEALDH1A1SMN1; SMN2
SCHEMBL6035073 0.78 MCHR1 (0.38) BRD4BRD2BRD3KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL4857673 0.77 MCHR1 (0.38) BRD4BRD2BRD3KDM4EL3MBTL1
SCHEMBL27611240 0.77 TSHR (0.35) BRD4BRD2BRD3KDM4EL3MBTL1
SCHEMBL13988069 0.76 KMT2A (0.38) BRD4BRD2BRD3KDM4EL3MBTL1

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 9 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-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 2766/4885BRD2 2964/4885BRD3 2576/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 BRD4 2766/4885BRD2 2964/4885BRD3 2576/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE BRD4 3524/4885BRD2 3150/4885BRD3 2784/4885

“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.