SCHEMBL18719694

SCHEMBL18719694

CC(C)c1ccc(C2=NCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 1.00
LMNA P02545 1/20 0.62
RECQL P46063 1/20 0.62
HTR1D P28221 2/20 0.59
ADRA1A P35348 1/20 0.59
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
TOP2A P11388 2/20 0.56
TOP2B Q02880 2/20 0.56
HTR1B P28222 1/20 0.54

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
SCHEMBL12073506 0.89 NISCH (0.81) NISCHLMNARECQLHTR1DADRA1A
SCHEMBL1935142 0.86 NISCH (0.75) NISCHLMNARECQLHTR1DADRA1A
Hydrochloric Acid SCHEMBL1936498 0.84 NISCH (0.73) NISCHLMNARECQLHTR1DADRA1A
SCHEMBL5476725 0.84 NISCH (0.79) NISCHLMNARECQLHTR1DADRA1A
SCHEMBL17084449 0.80 NISCH (0.66) NISCHMAOB
SCHEMBL1886692 0.79 NISCH (1.00) NISCHLMNARECQLHTR1DADRA1A
SCHEMBL1685409 0.79 NISCH (0.66) NISCHLMNARECQLHTR1DADRA1A
SCHEMBL523059 0.79 LMNA (0.96) NISCHLMNARECQLHTR1DADRA1A
SCHEMBL23758890 0.78 TDP1 (0.82) NISCHLMNA
SCHEMBL8188355 0.77 LMNA (0.92) NISCHLMNARECQLHTR1DADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 US disclosed
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 US disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 US disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 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-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM NISCH 36/4885LMNA 657/4885RECQL 2025/4885

“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.