SCHEMBL18967494

SCHEMBL18967494

N=C(Nc1ccncc1)c1ccc(Cn2ccc3ncccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL18967495 0.83 HDAC1 (0.35) HDAC1HDAC6HDAC2HDAC10HDAC8
SCHEMBL18967963 0.81 SMN1; SMN2 (0.41) PLAUHDAC1HDAC6SMN1; SMN2KDM4E
SCHEMBL18968025 0.81 PLAU (0.43) PLAUHDAC1HDAC6HTTSMN1; SMN2
SCHEMBL18967497 0.81 SLC22A12 (0.36) SMN1; SMN2KDRMETMEN1KMT2A
SCHEMBL18967906 0.79 PLAU (0.63) PLAUHDAC1HDAC6HTTSMN1; SMN2
SCHEMBL18967486 0.79 FLT1 (0.47) PLAUHDAC1HDAC6KDRHDAC2
SCHEMBL31061608 0.73 CYP11B1 (0.62) HTTSMN1; SMN2KDM4EMETKMT2A
SCHEMBL4716978 0.73 CYP11B1 (0.62) HTTSMN1; SMN2KDM4EMETKMT2A
SCHEMBL22547753 0.71 CYP11B1 (0.42) HDAC1HDAC6HTTSMN1; SMN2MET
SCHEMBL17165147 0.70 HDAC1 (0.59) HDAC1HDAC6HDAC2HDAC10HDAC8

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 PLAU 4395/4885HDAC1 1318/4885HDAC6 370/4885

“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.