SCHEMBL6139467

SCHEMBL6139467

CC(C)c1ccc(CN2CCN(c3nccs3)CC2)c(=O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
OGA O60502 1/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
PARP1 P09874 1/20 0.39
TNK1 Q13470 1/20 0.39
MAPT P10636 3/20 0.39
DRD2 P14416 2/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ATM Q13315 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A7 Q99884 1/20 0.36

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
SCHEMBL6139376 0.83 LMNA (0.55) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7921619 0.82 LMNA (0.49) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7915514 0.80 ALDH1A1 (0.55) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7921621 0.79 ALDH1A1 (0.76) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7921747 0.77 LMNA (0.62) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7921771 0.76 LMNA (0.61) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7594639 0.76 LMNA (0.61) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7915455 0.76 LMNA (0.58) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7924002 0.75 LMNA (0.59) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7921975 0.75 ALDH1A1 (0.60) LMNAALDH1A1TSHRTP53MAPT

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-20050130982-A1 Oral therapeutic or preventative drugs for pollakiuria and urinary incontinence and oral sleep inducers, containing tropolone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-06-16 US claimed
EP-1504759-A1 ORAL THERAPEUTIC OR PREVENTIVE DRUGS FOR POLLAKIURIA AND URINARY INCONTINENCE OR ORAL SLEEP INDUCERS, CONTAINING TROPOLONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2005-02-09 EP claimed
US-20050130982-A1 Oral therapeutic or preventative drugs for pollakiuria and urinary incontinence and oral sleep inducers, containing tropolone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-06-16 US disclosed
EP-1504759-A1 ORAL THERAPEUTIC OR PREVENTIVE DRUGS FOR POLLAKIURIA AND URINARY INCONTINENCE OR ORAL SLEEP INDUCERS, CONTAINING TROPOLONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2005-02-09 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 (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-20050130982-A1 Oral therapeutic or preventative drugs for pollakiuria and urinary incontinence and oral sleep inducers, containing tropolone derivatives MTNR1A, SULT2A1, MTNR1B LMNA 2399/4885ALDH1A1 309/4885TSHR 2978/4885

“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.