SCHEMBL18967972

SCHEMBL18967972

N=C(c1csc(Cn2ccc3ccncc32)c1)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
PRMT3 O60678 5/20 0.32
HTR6 P50406 1/20 0.32
MAPT P10636 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TP53 P04637 2/20 0.31
FLT1 P17948 2/20 0.31
KDR P35968 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
PLAU P00749 2/20 0.31
PLG P00747 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL18967699 0.99 PRMT3 (0.33) P2RX7PRMT3HTR6HRH3TP53
SCHEMBL18939046 0.92 KDR (0.38) P2RX7PRMT3HRH3FLT1KDR
SCHEMBL18939006 0.84 PLAU (0.42) HTR6MAPTSLC22A12PLAUPLG
SCHEMBL18967594 0.81 PRMT3 (0.34) P2RX7PRMT3TP53FLT1KDR
SCHEMBL18960808 0.81 NR3C1 (0.36) HTR6MAPTPLAUPLG
Hydrochloric Acid SCHEMBL18938987 0.80 NR3C1 (0.36) HTR6MAPTPLAUPLG
SCHEMBL18967767 0.80 P2RX7 (0.34) P2RX7PRMT3HTR6MAPTHRH3
SCHEMBL18967700 0.79 HRH3 (0.35) P2RX7PRMT3HTR6MAPTHRH3
SCHEMBL18952021 0.78 SLC22A12 (0.35) P2RX7HTR6FLT1KDRSLC22A12
Hydrochloric Acid SCHEMBL28662896 0.78 FLT1 (0.39) HTR6MAPTFLT1KDRSLC22A12

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-9751894-B2 Cephem compounds, their production and use NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-09-05 US disclosed
US-20170166587-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS ULC (CA) 2017-06-15 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-20170166587-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE CEP170, AADAC, NAA50 P2RX7 2529/4885PRMT3 56/4885HTR6 1682/4885

“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.