SCHEMBL20176006

SCHEMBL20176006

Nc1cccc2cc(/C=C/c3ccccc3)cnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.58
PDGFRA P16234 2/20 0.58
CYP19A1 P11511 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
RELA Q04206 1/20 0.44
GRM4 Q14833 7/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC6 Q9UBN7 2/20 0.41
PARP1 P09874 1/20 0.41
RAB9A P51151 2/20 0.41
GRM5 P41594 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL20176007 0.85 PDGFRB (0.56) PDGFRBPDGFRACYP19A1MAOAMAOB
SCHEMBL6537874 0.80 PARP1 (0.61) PDGFRBPDGFRAALDH1A1KDM4EHPGD
SCHEMBL6538221 0.75 KDM4E (0.65) PDGFRBPDGFRAKDM4EPARP1
SCHEMBL3164863 0.74 PDGFRB (1.00) PDGFRBPDGFRARELAALDH1A1KDM4E
SCHEMBL3164867 0.74 PDGFRB (1.00) PDGFRBPDGFRARELAALDH1A1KDM4E
SCHEMBL6501543 0.72 NPC1 (0.57) RELAGRM4ALDH1A1KDM4EHPGD
SCHEMBL16880578 0.71 PARP1 (0.44) KDM4EPARP1CYP3A4CYP2D6CYP2C9
SCHEMBL25181914 0.71 PDGFRB (0.46) PDGFRBPDGFRACYP19A1MAOAMAOB
SCHEMBL26964134 0.71 PARP1 (0.44) KDM4EPARP1CYP3A4CYP2D6CYP2C9
SCHEMBL1056354 0.71 PDGFRB (0.54) PDGFRBPDGFRAGRM4ALDH1A1KDM4E

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 2 patents. 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
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 PDGFRB 4510/4885PDGFRA 4413/4885CYP19A1 3982/4885

“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.