SCHEMBL20180977

SCHEMBL20180977

Oc1cc(I)cc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.57
L3MBTL1 Q9Y468 9/20 0.57
NPC1 O15118 7/20 0.57
RAB9A P51151 6/20 0.57
COMT P21964 2/20 0.57
MMP2 P08253 2/20 0.57
TSHR P16473 2/20 0.57
CHRM1 P11229 1/20 0.57
ADRA1A P35348 1/20 0.57
METAP2 P50579 1/20 0.57
METAP1 P53582 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 2/20 0.54
PKM P14618 1/20 0.54
CASP6 P55212 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL19001628 0.80 KDM4E (0.48) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL11808148 0.80 COMT (0.61) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL20176005 0.78 KDM4E (0.59) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL3711196 0.78 KDM4E (0.59) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL364531 0.77 KDM4E (0.57) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL3347624 0.77 KDM4E (0.57) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL22271011 0.77 CCR1 (0.45) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL22270741 0.77 CCR1 (0.55) KDM4EL3MBTL1COMTMMP2TSHR
SCHEMBL20176000 0.77 KDM4E (0.57) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL19001540 0.77 CCR1 (0.55) KDM4EL3MBTL1NPC1RAB9ACOMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141911-A1 Quinoline Derivatives for Diagnosis and Treatment of Alzheimer's Disease NORTHEASTERN UNIVERSITY 2018-05-24 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-20180141911-A1 Quinoline Derivatives for Diagnosis and Treatment of Alzheimer's Disease MAPT, PSEN1, PSEN2 KDM4E 3865/4885L3MBTL1 2472/4885NPC1 683/4885

“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.