SCHEMBL6160772

SCHEMBL6160772

NCc1cccnc1Oc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.51
MAPK8 P45983 1/20 0.50
SLC6A2 P23975 2/20 0.49
HTR1A P08908 1/20 0.49
SLC6A4 P31645 1/20 0.49
PRMT6 Q96LA8 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
CXCL8 P10145 1/20 0.42
P2RY1 P47900 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
TRPA1 O75762 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
SCHEMBL11924511 0.86 MAPK8 (0.54) CARM1MAPK8SLC6A2HTR1ASLC6A4
SCHEMBL2891311 0.84 MEN1 (0.57) CARM1MAPK8SLC6A2HTR1ASLC6A4
SCHEMBL6158881 0.83 P2RY1 (0.48) CARM1SLC6A2SLC6A4PRMT6MAPT
SCHEMBL3288658 0.81 ADORA2A (0.46) CARM1SLC6A2PRMT6MEN1KMT2A
SCHEMBL3289192 0.79 DPP4 (0.43) CARM1MAPK8SLC6A2HTR1ASLC6A4
SCHEMBL19322914 0.79 CARM1 (0.41) CARM1MAPK8PRMT6MEN1KMT2A
SCHEMBL1340917 0.79 HTR1A (0.52) MAPK8SLC6A2HTR1ASLC6A4KDM4E
SCHEMBL23005051 0.78 CXCL8 (0.59) SLC6A2HTR1ASLC6A4MEN1KMT2A
SCHEMBL15074670 0.77 HTR1A (0.54) MAPK8SLC6A2HTR1ASLC6A4KDM4E
SCHEMBL3290447 0.77 ALDH1A1 (0.53) MAPK8SLC6A2HTR1ASLC6A4KDM4E

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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. 2005-07-28 US disclosed
EP-1500658-A1 NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP 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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TST, QSOX1, MMP1 CARM1 1485/4885MAPK8 4150/4885SLC6A2 2889/4885

“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.