SCHEMBL436770

SCHEMBL436770

O=C(NO)C1CCc2ccc(NC(=O)C3CCNCC3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.46
GHSR Q92847 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MELK Q14680 1/20 0.43
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
FLT3 P36888 1/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL346641 0.92 GHSR (0.49) GHSRNPC1RAB9ALMNARXFP1
SCHEMBL346517 0.87 GHSR (0.49) GHSRNPC1RAB9ALMNARXFP1
SCHEMBL438194 0.84 KMT2A (0.45) GHSRNPC1RAB9ALMNARXFP1
SCHEMBL346598 0.84 KHK (0.40) GHSRNPC1RAB9AMELKRXFP1
SCHEMBL435892 0.82 ULK1 (0.51) ULK1GHSRNPC1RAB9ALMNA
SCHEMBL346350 0.81 MAPK1 (0.48) GHSRLMNAALDH1A1KDM4EHSD17B10
SCHEMBL345545 0.80 NPC1 (0.59) GHSRNPC1RAB9AKMT2AMEN1
SCHEMBL461415 0.80 MTNR1A (0.54) GHSRHTTSMN1; SMN2
SCHEMBL345716 0.79 KHK (0.40) GHSRNPC1RAB9AMELKRXFP1
SCHEMBL436877 0.79 PSMB8 (0.48) ULK1GHSRNPC1RAB9AKMT2A

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 ULK1 4244/4885GHSR 1236/4885NPC1 2892/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ULK1 3776/4885GHSR 2184/4885NPC1 3030/4885

“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.