SCHEMBL6448103

SCHEMBL6448103

O=C(Nc1ccc(-c2ccncc2)cc1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.81
STAT3 P40763 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
JAK2 O60674 1/20 0.80
TYK2 P29597 1/20 0.80
PTPN1 P18031 4/20 0.79
HTT P42858 1/20 0.74
GAA P10253 1/20 0.70
KCNK3 O14649 1/20 0.66
KDM4E B2RXH2 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
DEGS1 O15121 1/20 0.63
HDAC2 Q92769 1/20 0.62
NAMPT P43490 1/20 0.62
RAB9A P51151 2/20 0.61
KMT2A Q03164 2/20 0.61
BCAT2 O15382 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61

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
SCHEMBL30828578 0.91 GAA (0.78) POLBSTAT3SMN1; SMN2JAK2TYK2
SCHEMBL23734986 0.91 GAA (0.85) POLBSTAT3SMN1; SMN2JAK2TYK2
SCHEMBL30828573 0.91 GAA (0.78) POLBSTAT3SMN1; SMN2JAK2TYK2
SCHEMBL29013035 0.90 POLB (1.00) POLBSTAT3SMN1; SMN2JAK2TYK2
SCHEMBL19241697 0.89 GAA (0.88) POLBSTAT3SMN1; SMN2JAK2TYK2
SCHEMBL164882 0.89 JAK2 (1.00) POLBSTAT3SMN1; SMN2JAK2TYK2
SCHEMBL18085798 0.89 PTPN1 (1.00) POLBSTAT3SMN1; SMN2PTPN1KDM4E
SCHEMBL23096186 0.87 KDM4E (0.85) POLBSTAT3SMN1; SMN2JAK2TYK2
SCHEMBL23760600 0.87 KDM4E (0.85) POLBSTAT3SMN1; SMN2JAK2TYK2
SCHEMBL27193241 0.87 POLB (0.88) POLBSTAT3SMN1; SMN2JAK2TYK2

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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 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-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage TPH2, TPH1, HTR2A POLB 3014/4885STAT3 2673/4885SMN1; SMN2 337/4885

“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.