SCHEMBL6036019

SCHEMBL6036019

O=C1CCc2cc(C(=O)CCCCCNCCc3ccccc3)ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HTR1A P08908 2/20 0.50
HTR2A P28223 2/20 0.50
HTR7 P34969 2/20 0.50
DRD3 P35462 2/20 0.50
DRD4 P21917 1/20 0.50
GRIN2B Q13224 2/20 0.49
MAOA P21397 4/20 0.49
MAOB P27338 4/20 0.49
DRD2 P14416 2/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CRBN Q96SW2 3/20 0.43
SMYD3 Q9H7B4 2/20 0.43

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
Hydrochloric Acid SCHEMBL4862451 0.99 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6035921 0.99 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL4863013 0.98 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6035044 0.86 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL4910371 0.85 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6035065 0.85 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL4861062 0.84 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6035179 0.84 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6035329 0.84 TDP1 (0.39) HDAC1HDAC2HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL4852342 0.83 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC2HDAC8

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 4 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-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US 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 (1 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 HDAC3 1751/4885HDAC4 2453/4885HDAC1 1053/4885

“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.