SCHEMBL19002820

SCHEMBL19002820

CCNc1cccnc1Oc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR1A P08908 1/20 0.46
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
GRM5 P41594 1/20 0.42
P2RY1 P47900 6/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.40
ADRA2C P18825 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL19049022 0.88 SLC6A2 (0.44) SLC6A2SLC6A4HTR1AKMT2AALDH1A1
SCHEMBL18997340 0.84 HTR1A (0.43) SLC6A2SLC6A4HTR1AKMT2AALDH1A1
SCHEMBL19049024 0.84 HTR1A (0.43) SLC6A2SLC6A4HTR1AKMT2AALDH1A1
SCHEMBL20697220 0.77 IDO1 (0.45) SLC6A2SLC6A4KMT2AALDH1A1HTT
SCHEMBL29198738 0.77 SLC6A2 (0.55) SLC6A2SLC6A4HTR1AKMT2AALDH1A1
SCHEMBL21246154 0.73 MKNK2 (0.44) SLC6A2SLC6A4GRM5IDO1
SCHEMBL18997352 0.73 PDE10A (0.44) SLC6A2SLC6A4HTR1AKMT2AALDH1A1
SCHEMBL21258513 0.72 IDO1 (0.41) ALDH1A1L3MBTL1LMNAGRM5NPC1
SCHEMBL8508286 0.71 GRM5 (0.51) KMT2AHTTGRM5MEN1TSHR
SCHEMBL29512293 0.70 MAPT (0.70) KMT2AALDH1A1HTTALOX12MEN1

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 SLC6A2 4742/4885SLC6A4 4710/4885HTR1A 4582/4885

“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.