SCHEMBL2859863

SCHEMBL2859863

CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(N)CC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ KDM4E B2RXH2 7/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ HPGD P15428 5/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HSD17B10 Q99714 5/20 0.54
▸ LMNA P02545 5/20 0.54
▸ TSHR P16473 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ BRD4 O60885 1/20 0.53
▸ CYP2J2 P51589 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ TOP2A P11388 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ TOP2B Q02880 1/20 0.51
▸ USP2 O75604 1/20 0.51

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
Amifloxacin SCHEMBL28198749 0.90 ALDH1A1 (0.70) ALDH1A1DRD3KDM4EMEN1KMT2A
Amifloxacin SCHEMBL48001 0.90 ALDH1A1 (0.70) ALDH1A1DRD3KDM4EMEN1KMT2A
Amifloxacin SCHEMBL29371634 0.90 ALDH1A1 (0.70) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL10923393 0.90 ALDH1A1 (0.57) ALDH1A1DRD3KDM4EMEN1KMT2A
Amifloxacin SCHEMBL9788088 0.89 ALDH1A1 (0.69) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL10919811 0.89 MEN1 (0.57) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL10918825 0.88 KDM4E (0.70) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL10918967 0.87 ALDH1A1 (0.55) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL10923458 0.87 KDM4E (0.70) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL9159906 0.87 ALDH1A1 (0.70) ALDH1A1DRD3KDM4EMEN1KMT2A

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 ALDH1A1 616/4885DRD3 1261/4885KDM4E 2236/4885

“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.

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