SCHEMBL435892

SCHEMBL435892

O=C(NO)C1CCc2cc(NC(=O)C3CCCNC3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.51
ALOX15 P16050 1/20 0.47
F10 P00742 1/20 0.43
KHK P50053 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
GHSR Q92847 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CDK9 P50750 1/20 0.41
HTR6 P50406 3/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TNKS O95271 1/20 0.40

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
SCHEMBL346517 0.84 GHSR (0.49) ALOX15RXFP1GHSRNPC1RAB9A
SCHEMBL436877 0.83 PSMB8 (0.48) ULK1KHKGHSRNPC1RAB9A
SCHEMBL346139 0.83 MTNR1A (0.43) GHSR
SCHEMBL436770 0.82 ULK1 (0.46) ULK1ALOX15RXFP1GHSRNPC1
SCHEMBL346641 0.80 GHSR (0.49) ALOX15RXFP1GHSRNPC1RAB9A
SCHEMBL16684691 0.80 KMT2A (0.54) ULK1ALOX15F10RXFP1NPC1
SCHEMBL345716 0.77 KHK (0.40) KHKRXFP1GHSRNPC1RAB9A
SCHEMBL346459 0.75 KMT2A (0.39) KMT2AROCK2
SCHEMBL346347 0.75 HDAC8 (0.48) GHSRKMT2AROCK2
SCHEMBL10197864 0.75 HDAC8 (0.48) GHSRKMT2AROCK2

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 5 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
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
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US 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 4244/4885ALOX15 2979/4885F10 2340/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ULK1 3776/4885ALOX15 2128/4885F10 1728/4885

“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.