SCHEMBL2054473

SCHEMBL2054473

CCCCCc1ccc(CCCC(C)N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ HSD11B1 P28845 2/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ GPR3 P46089 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL17261334 0.87 TDP1 (0.64) TDP1POLBL3MBTL1ALDH1A1
SCHEMBL29257418 0.86 TDP1 (0.54) TDP1POLBMEN1KMT2ANR1H2
SCHEMBL30423475 0.86 TDP1 (0.54) TDP1POLBMEN1KMT2ANR1H2
Hydrochloric Acid SCHEMBL30694219 0.85 TDP1 (0.53) TDP1POLBMEN1KMT2ANR1H2
SCHEMBL8732975 0.80 TDP1 (0.61) TDP1POLBALDH1A1
SCHEMBL11074666 0.77 TDP1 (0.57) TDP1POLBL3MBTL1ALDH1A1
SCHEMBL12134380 0.76 TDP1 (0.47) TDP1POLBNR1H2NR1H3FAAH
SCHEMBL6284063 0.76 MEN1 (0.56) TDP1MEN1KMT2ANR1H2NR1H3
SCHEMBL6285932 0.76 TDP1 (0.69) TDP1MEN1KMT2AL3MBTL1MMP2
SCHEMBL2054495 0.76 TDP1 (0.73) TDP1MEN1KMT2AL3MBTL1ALDH1A1

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-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 — — US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 — — 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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G TDP1 4087/4885POLB 2990/4885MEN1 3385/4885

“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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