SCHEMBL2606218

SCHEMBL2606218

C/C(=C\c1ccc2[nH]cnc2c1)N=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ POLB P06746 6/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TDP1 Q9NUW8 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 7/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ MMP12 P39900 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PKM P14618 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL14051691 0.84 HDAC1 (0.39) HDAC1ALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL2603490 0.78 EGFR (0.52) HDAC1ALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL11436689 0.78 HDAC1 (0.39) HDAC1ALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL1160196 0.75 CYP2A6 (0.47) HDAC1ALDH1A1TDP1MAPTKDM4E
SCHEMBL29505633 0.75 CYP2A6 (0.47) HDAC1ALDH1A1TDP1MAPTKDM4E
SCHEMBL4588444 0.75 MAPT (0.42) HDAC1ALDH1A1POLBTDP1KMT2A
SCHEMBL2653189 0.74 KDM4E (0.41) HDAC1ALDH1A1POLBTDP1KMT2A
SCHEMBL2653187 0.74 KDM4E (0.41) HDAC1ALDH1A1POLBTDP1KMT2A
SCHEMBL4236815 0.72 MAPT (0.42) HDAC1ALDH1A1TDP1MAPTKDM4E
SCHEMBL10465738 0.72 MAPT (0.42) HDAC1ALDH1A1SMN1; SMN2TDP1MAPT

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-8158664-B2 Antimicrobial and radioprotective compounds BIODIEM LTD. (AU) 2012-04-17 — — US disclosed
US-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD. (AU) 2010-11-18 — — US disclosed
US-7825145-B2 Antimicrobial and radioprotective compounds BIODIEM LTD (AU) 2010-11-02 — — US disclosed
US-20090012137-A1 administering microbiocides such as 3,4-methylenedioxy- beta -nitrostyrene, for the treatment of urogenital disorders caused by Candida, Neisseria, Chlamydia or Trichomonas; side effect reduction of radiotherapy BIODIEM LTD. (AU) 2009-01-08 — — 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 (2 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-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA HDAC1 883/4885ALDH1A1 1984/4885POLB 785/4885
US-20090012137-A1 administering microbiocides such as 3,4-methylenedioxy- beta -nitrostyrene, for the treatment of urogenital disorders caused by Candida, Neisseria, Chlamydia or Trichomonas; side effect reduction of radiotherapy TUBB1, UGT1A1, CYP1A1 HDAC1 564/4885ALDH1A1 770/4885POLB 722/4885

“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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