SCHEMBL18967495

SCHEMBL18967495

N=C(Nc1ccncc1)c1ccc(Cn2ccc3ncccc32)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
GRIN2B Q13224 3/20 0.34
PPARG P37231 7/20 0.34
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34
HDAC5 Q9UQL6 2/20 0.34
HDAC2 Q92769 2/20 0.34
MET P08581 2/20 0.33
BRD4 O60885 1/20 0.33
BUB1 O43683 1/20 0.33
ADRA2B P18089 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33

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
SCHEMBL18967497 0.83 SLC22A12 (0.36) GRIN2BMET
SCHEMBL18967494 0.83 PLAU (0.40) HDAC1HDAC6GRIN2BHDAC10HDAC8
SCHEMBL18977649 0.82 PLAU (0.46) HDAC1HDAC6GRIN2BHDAC4MET
SCHEMBL18967639 0.68 MAPT (0.39) HDAC1HDAC6PPARGHDAC3HDAC4
SCHEMBL18968025 0.67 PLAU (0.43) HDAC1HDAC6HDAC4MET
SCHEMBL18939015 0.67 PLAU (0.41) GRIN2BMET
SCHEMBL18967963 0.66 SMN1; SMN2 (0.41) HDAC1HDAC6MET
SCHEMBL18967906 0.65 PLAU (0.63) HDAC1HDAC6
SCHEMBL18960813 0.63 SLC22A12 (0.38) GRIN2BMET
SCHEMBL18967486 0.63 FLT1 (0.47) HDAC1HDAC6HDAC10HDAC8HDAC9

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 HDAC1 1318/4885HDAC6 370/4885GRIN2B 1462/4885

“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.