SCHEMBL9996355

SCHEMBL9996355

Oc1c(CN2CCCCC2)cc(Cl)c2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 1.00
NPC1 O15118 5/20 0.81
KDM4E B2RXH2 10/20 0.76
HTT P42858 8/20 0.76
MAPT P10636 8/20 0.76
SMN1; SMN2 Q16637 7/20 0.76
LMNA P02545 7/20 0.76
TDP1 Q9NUW8 6/20 0.76
MPI P34949 3/20 0.76
ALDH1A1 P00352 2/20 0.76
L3MBTL1 Q9Y468 8/20 0.73
RAB9A P51151 6/20 0.73
NPSR1 Q6W5P4 6/20 0.73
ALOX15 P16050 5/20 0.73
TP53 P04637 5/20 0.73
ALOX12 P18054 5/20 0.73
HSP90AA1 P07900 3/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C19 P33261 1/20 0.73

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
SCHEMBL31452761 0.99 METAP2 (0.97) METAP2NPC1KDM4EHTTMAPT
SCHEMBL11955292 0.93 METAP2 (0.88) METAP2NPC1KDM4EHTTMAPT
SCHEMBL2312166 0.88 METAP2 (1.00) METAP2NPC1KDM4EHTTMAPT
SCHEMBL1240342 0.88 METAP2 (1.00) METAP2NPC1KDM4EHTTMAPT
SCHEMBL12530781 0.86 METAP2 (0.98) METAP2NPC1KDM4EHTTMAPT
SCHEMBL18719791 0.85 METAP2 (0.75) METAP2NPC1KDM4EHTTMAPT
SCHEMBL13391489 0.83 MAPT (1.00) METAP2NPC1KDM4EHTTMAPT
SCHEMBL13391835 0.82 MAPT (1.00) METAP2NPC1KDM4EHTTMAPT
SCHEMBL30868649 0.81 KDM4E (0.69) METAP2NPC1KDM4EHTTMAPT
SCHEMBL26241658 0.81 TP53 (0.98) METAP2NPC1KDM4EHTTMAPT

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
WO-2024092083-A1 SMALL MOLECULAR WEIGHT CHEMICAL COMPOUND TO ANTAGONIZE EPH-EPHRIN TETRAMERIZATION AND INHIBIT BIDIRECTIONAL SIGNALING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-02 WO disclosed
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 METAP2 9/4885NPC1 2306/4885KDM4E 997/4885

“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.