SCHEMBL231472

SCHEMBL231472

COC(=O)c1ccc2ccn(CCF)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
POLB P06746 1/20 0.62
APOBEC3A P31941 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
TRPV1 Q8NER1 1/20 0.50
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
HDAC8 Q9BY41 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47

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
SCHEMBL30443846 0.87 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL1608276 0.87 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL6950225 0.87 KDM4E (0.63) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL1809364 0.86 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL3352536 0.85 KDM4E (0.60) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL232469 0.84 KDM4E (0.66) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL9995196 0.84 KDM4E (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2808277 0.84 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL27951540 0.83 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL230170 0.82 HDAC3 (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10

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 ALDH1A1 1114/4885KDM4E 2986/4885SMN1; SMN2 297/4885

“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.