SCHEMBL12665682

SCHEMBL12665682

O=C(CNc1ccc(N2CCN(CC(=O)c3ccccc3)CC2)c(F)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
NSD2 O96028 1/20 0.53
ALPL P05186 1/20 0.53
MAPT P10636 9/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.48
PKM P14618 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 1/20 0.48
AGTR1 P30556 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
NPY2R P49146 1/20 0.46
AKR1C3 P42330 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL12126882 0.85 HPGD (0.61) GAAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL25819265 0.81 GAA (0.57) GAANSD2ALPLMAPTALDH1A1
SCHEMBL12831376 0.80 MAPT (0.54) MAPTL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4875267 0.72 ALDH1A1 (0.79) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8425436 0.71 NPC1 (0.58) GAAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL11112453 0.71 ALDH1A1 (0.59) GAANSD2ALPLMAPTALDH1A1
SCHEMBL6159469 0.70 ALDH1A1 (0.51) GAANSD2ALPLMAPTALDH1A1
SCHEMBL351380 0.70 POLB (0.74) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL12858623 0.69 ALPL (1.00) GAANSD2ALPLMAPTALDH1A1
SCHEMBL11123253 0.69 ALDH1A1 (0.61) GAANSD2ALPLMAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 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-20110124597-A1 BORON CONTAINING SMALL MOLECULES BCL6B, BCL6, BLVRB GAA 430/4885NSD2 4389/4885ALPL 4488/4885

“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.