SCHEMBL6139516

SCHEMBL6139516

COc1cc(C(C)C)ccc(CN2CCN(c3ncccn3)CC2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
TACR1 P25103 2/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
MPI P34949 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
Fumaric Acid SCHEMBL6361803 0.92 KDM4E (0.53) KDM4EMAPK1KMT2AMEN1ALDH1A1
Fumaric Acid SCHEMBL6361804 0.92 KDM4E (0.53) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL2162623 0.86 MEN1 (0.63) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL6139376 0.84 LMNA (0.55) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL7923519 0.84 LMNA (0.61) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL7924162 0.84 KDM4E (0.62) KDM4EKMT2AALDH1A1DRD2DRD4
SCHEMBL7921522 0.82 KMT2A (0.56) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL7927315 0.82 KDM4E (0.58) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL7927267 0.81 MAPT (0.49) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL7924133 0.81 LMNA (0.48) KDM4EMAPK1KMT2AMEN1ALDH1A1

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 KDM4E 2173/4885MAPK1 2836/4885KMT2A 1033/4885

“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.