SCHEMBL14051691

SCHEMBL14051691

CC(C)=Cc1ccc2[nH]cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ MMP12 P39900 1/20 0.38
▸ PRKCI P41743 1/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LRRK2 Q5S007 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 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
SCHEMBL2606218 0.84 HDAC1 (0.39) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL11436689 0.83 HDAC1 (0.39) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL4588444 0.80 MAPT (0.42) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL4236815 0.77 MAPT (0.42) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL1160196 0.77 CYP2A6 (0.47) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL29505633 0.77 CYP2A6 (0.47) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL10465738 0.77 MAPT (0.42) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL2653187 0.76 KDM4E (0.41) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL2653189 0.76 KDM4E (0.41) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL27553512 0.75 KDM4E (0.45) MAPTKDM4EALDH1A1TDP1APEX1

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-20140080876-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2014-03-20 — — US disclosed
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 — — 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-20140080876-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA HDAC1 883/4885MAPT 1510/4885KDM4E 4026/4885
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT HDAC1 2981/4885MAPT 1024/4885KDM4E 1723/4885

“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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