SCHEMBL18967699

SCHEMBL18967699

N=C(c1csc(Cn2ccc3ccncc32)c1)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 3/20 0.33
P2RX7 Q99572 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TP53 P04637 4/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
POLB P06746 2/20 0.32
HTR6 P50406 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 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
SCHEMBL18967972 0.99 P2RX7 (0.34) PRMT3P2RX7HRH3TP53SMN1; SMN2
SCHEMBL18939046 0.91 KDR (0.38) PRMT3P2RX7HRH3
SCHEMBL18939006 0.83 PLAU (0.42) HTR6
SCHEMBL18967594 0.82 PRMT3 (0.34) PRMT3P2RX7TP53SMN1; SMN2POLB
SCHEMBL18967700 0.80 HRH3 (0.35) PRMT3P2RX7HRH3TP53SMN1; SMN2
SCHEMBL18960808 0.80 NR3C1 (0.36) HTR6
Hydrochloric Acid SCHEMBL18938987 0.79 NR3C1 (0.36) HTR6
SCHEMBL18967767 0.79 P2RX7 (0.34) PRMT3P2RX7HRH3HTR6
SCHEMBL18952021 0.77 SLC22A12 (0.35) P2RX7HTR6
Hydrochloric Acid SCHEMBL28662896 0.77 FLT1 (0.39) HTR6

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 PRMT3 56/4885P2RX7 2529/4885HRH3 1584/4885

“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.