SCHEMBL5083980

SCHEMBL5083980

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C45CC(C4)C5)c3c2F)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.65
ADRA2B P18089 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 6/20 0.56
HSD17B10 Q99714 6/20 0.56
ALB P02768 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
TUBB4A P04350 1/20 0.55
POLB P06746 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55

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
SCHEMBL4731238 0.89 KDM4E (0.53) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL5086191 0.85 LMNA (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5080350 0.84 ALDH1A1 (0.60) ALDH1A1POLBTOP1TOP2A
SCHEMBL8133309 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5086497 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10749384 0.82 KDM4E (0.65) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL5086541 0.82 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10668369 0.81 KDM4E (0.72) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL20850987 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL7821381 0.80 KDM4E (0.69) KDM4EADRA2BMAPK1ALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 WO claimed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-5385906-A Treating gramnegative and grampositive bacterial infections THE UPJOHN COMPANY (US) 1995-01-31 US disclosed
US-5262417-A Antibacterial quinolone compounds THE UPJOHN COMPANY (US) 1993-11-16 US disclosed
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 WO 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN KDM4E 3242/4885ADRA2B 3792/4885MAPK1 3681/4885

“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.