SCHEMBL2876259

SCHEMBL2876259

CC1CC(=O)c2c(N3CCN(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.69
KDM4E B2RXH2 10/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 3/20 0.57
ALB P02768 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
POLB P06746 3/20 0.56
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56
SLC47A1 Q96FL8 1/20 0.56

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
SCHEMBL9703328 0.91 KDM4E (0.68) AADATKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9703769 0.89 KDM4E (0.68) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9705503 0.89 KDM4E (0.57) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9703124 0.88 LMNA (0.55) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9705609 0.87 KDM4E (0.56) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9705571 0.87 KDM4E (0.56) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9703832 0.87 KDM4E (0.55) AADATKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9704588 0.85 KDM4E (0.55) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9703845 0.84 KMT2A (0.52) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9704592 0.84 KDM4E (0.53) AADATKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273787-A1 KYNURENINE-AMINOTRANSFERASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2010-10-28 US claimed
EP-2222662-A2 KYNURENINE-AMINOTRANSFERASE INHIBITORS University of Maryland, Baltimore (US) 2010-09-01 EP claimed
WO-2009064836-A2 KYNURENINE-AMINOTRANSFERASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2009-05-22 WO claimed
US-20100273787-A1 KYNURENINE-AMINOTRANSFERASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2010-10-28 US disclosed
EP-2222662-A2 KYNURENINE-AMINOTRANSFERASE INHIBITORS University of Maryland, Baltimore (US) 2010-09-01 EP disclosed
WO-2009064836-A2 KYNURENINE-AMINOTRANSFERASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2009-05-22 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-20100273787-A1 KYNURENINE-AMINOTRANSFERASE INHIBITORS KYNU, AADAT, KMO AADAT 2/4885KDM4E 2236/4885ALDH1A1 616/4885

“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.