SCHEMBL18154731

SCHEMBL18154731

Nc1ccnc(Sc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 7/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HTT P42858 1/20 0.46
▸ DHFR P00374 2/20 0.45
▸ ROCK1 Q13464 1/20 0.44
▸ GFER P55789 1/20 0.43
▸ TYMS P04818 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PDE7A Q13946 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL18154848 0.85 MEN1 (0.44) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10396025 0.82 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18154788 0.77 KMT2A (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10517534 0.76 MAPT (0.58) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18154846 0.75 MTOR (0.41) DHFRROCK1
SCHEMBL18154713 0.74 ALOX5AP (0.43) SMN1; SMN2LMNARAB9AHTTDHFR
SCHEMBL18154735 0.74 HTR6 (0.42) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL4163474 0.73 MAPT (0.79) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3328543 0.73 MAPT (0.79) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10521999 0.73 ALDH1A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11612604-B2 Methods of treating cancer with PLK4 inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2023-03-28 — — US disclosed
EP-3283482-A1 PLK4 INHIBITORS Ludwig Institute for Cancer Research Ltd (CH) 2018-02-21 — — EP disclosed
WO-2016166604-A1 PLK4 INHIBITORS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2016-10-20 — — WO 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-11612604-B2 Methods of treating cancer with PLK4 inhibitors PLK4, PLK2, PLK3 MAPT 3052/4885MEN1 3546/4885KMT2A 1059/4885

“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.

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