SCHEMBL346350

SCHEMBL346350

O=C(NO)C1CCc2ccc(-c3cccc(NC(=O)C4CC4)c3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
JAK2 O60674 1/20 0.46
PARP1 P09874 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
CDC25C P30307 1/20 0.44
DUSP3 P51452 1/20 0.44
GHSR Q92847 1/20 0.44
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL346515 0.92 DGAT1 (0.43) MAPK1HPGDSMN1; SMN2GAAUSP2
SCHEMBL10197667 0.91 GRIA2 (0.53) PARP1PARP15PARP10GHSRALDH1A1
SCHEMBL346777 0.88 KDM4E (0.45) MAPK1PARP1PARP15PARP10CDC25A
SCHEMBL346564 0.88 KMT2A (0.47) GHSRPOLBALPLALPIALPG
SCHEMBL346641 0.87 GHSR (0.49) HPGDSMN1; SMN2GAAUSP2LMNA
SCHEMBL438630 0.86 GRIA2 (0.53) PARP1PARP15PARP10GHSRPOLB
SCHEMBL10197734 0.86 CYP17A1 (0.47) GHSRGRIA2
SCHEMBL459845 0.85 FAAH (0.49) GHSR
SCHEMBL10260016 0.85 FAAH (0.51) GHSR
SCHEMBL345624 0.84 MTNR1A (0.51) HPGDSMN1; SMN2GAAUSP2LMNA

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 7 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
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
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 MAPK1 2547/4885HPGD 1359/4885SMN1; SMN2 567/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MAPK1 3559/4885HPGD 489/4885SMN1; SMN2 1515/4885

“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.