SCHEMBL231079

SCHEMBL231079

CC(C)n1ccc2ccc(C(=O)NN)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL31636989 0.87 MAPK11 (0.56) MAPK11MAPK14KDM4EALDH1A1HPGD
SCHEMBL26119911 0.81 MAPK11 (0.53) MAPK11MAPK14KDM4EALDH1A1HPGD
SCHEMBL233864 0.81 KDM4E (0.59) MAPK11MAPK14KDM4EALDH1A1HPGD
SCHEMBL232067 0.80 MAPK11 (0.52) MAPK11MAPK14KDM4EHDAC3HDAC1
SCHEMBL16595838 0.79 MAPK14 (0.48) MAPK11MAPK14KDM4EALDH1A1HPGD
SCHEMBL233310 0.78 HDAC11 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL18038186 0.77 AOC2 (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10POLB
Hydrochloric Acid SCHEMBL7879627 0.76 SLC9A1 (0.46) MAPK11MAPK14
SCHEMBL16595833 0.75 MAPK11 (0.46) MAPK11MAPK14KDM4EALDH1A1HPGD
SCHEMBL27776714 0.74 MAPK11 (0.75) MAPK11MAPK14HPGDEPHX2PPARG

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-8778928-B2 Indolyl-oxadiazolyl-diazabicyclononane derivatives and their medical and diagnostical use DANPET AB (SE) 2014-07-15 US disclosed
US-20120003153-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
CN-102300574-A Novel indolyl-oxadiazolyl-diazabicyclononane derivatives and their medical and diagnostical use 2011-12-28 CN 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-20120003153-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE CHRNA6, CHRNA10, CHRNA3 MAPK11 1267/4885MAPK14 1464/4885KDM4E 2986/4885

“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.