SCHEMBL9996252

SCHEMBL9996252

O=C(NCCCl)Oc1c(Cl)cc(Cl)c2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
HIF1A Q16665 1/20 0.58
HTT P42858 8/20 0.57
LMNA P02545 7/20 0.57
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
MAPT P10636 5/20 0.57
ALOX12 P18054 5/20 0.57
NPSR1 Q6W5P4 4/20 0.57
CCR6 P51684 1/20 0.57
HDAC6 Q9UBN7 3/20 0.55
HSP90AA1 P07900 3/20 0.55
CYP3A4 P08684 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50

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
SCHEMBL11090971 0.82 KDM4E (0.65) KDM4EHIF1AHTTLMNAALDH1A1
SCHEMBL9996605 0.81 KDM4E (0.62) KDM4EHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL11086288 0.81 KDM4E (0.60) KDM4EHIF1AHTTLMNAALDH1A1
SCHEMBL9996591 0.79 HIF1A (0.60) KDM4EHIF1AHTTLMNAALDH1A1
SCHEMBL9996625 0.78 KDM4E (0.57) KDM4EHIF1AHTTLMNAALDH1A1
SCHEMBL4459991 0.78 KDM4E (0.70) KDM4EHIF1AHTTLMNAALDH1A1
SCHEMBL2315410 0.76 ALDH1A1 (0.55) KDM4EHIF1AHTTLMNAALDH1A1
SCHEMBL4457239 0.74 HTT (0.69) KDM4EHIF1AHTTLMNAALDH1A1
SCHEMBL4249561 0.73 KDM4E (0.64) KDM4EHIF1AHTTLMNAALDH1A1
SCHEMBL7254726 0.73 HIF1A (0.78) KDM4EHIF1AHTTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350012-B1 QUINOLINE COMPOUNDS AS INHIBITORS OF ANGIOGENESIS, HUMAN METHIONINE AMINOPEPTIDASE, AND SIRT1, AND METHODS OF TREATING DISORDERS UNIV JOHNS HOPKINS (US) 2017-06-28 EP disclosed
US-8729097-B2 Quinoline compounds as inhibitors of angiogenesis, human methionine aminopeptidase, and SIRT1, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2014-05-20 US disclosed
US-20110301163-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF ANGIOGENESIS, HUMAN METHIONINE AMINOPEPTIDASE, AND SIRT1, AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-12-08 US 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-20110301163-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF ANGIOGENESIS, HUMAN METHIONINE AMINOPEPTIDASE, AND SIRT1, AND METHODS OF TREATING DISORDERS SIRT1, SIRT2, SIRT3 KDM4E 997/4885HIF1A 314/4885HTT 1450/4885

“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.