SCHEMBL1173771

SCHEMBL1173771

O=C(NO)c1cc2c(s1)CN(Cc1cccnc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
CYP17A1 P05093 2/20 0.52
CYP3A4 P08684 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HDAC1 Q13547 2/20 0.50
DRD2 P14416 1/20 0.49
KCNH2 Q12809 1/20 0.49
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HDAC6 Q9UBN7 3/20 0.47
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL1175135 0.79 PRMT5 (0.45) SMN1; SMN2LMNAHDAC1DRD2USP2
SCHEMBL1173817 0.77 HDAC6 (0.50) SMN1; SMN2HDAC1HDAC6PRMT5WDR77
SCHEMBL1174296 0.77 HDAC6 (0.59) SMN1; SMN2HDAC1DRD2KCNH2HDAC6
SCHEMBL1175242 0.77 HDAC6 (0.47) PTPN1SMN1; SMN2HDAC1DRD2KCNH2
SCHEMBL1174137 0.75 PTPN1 (0.54) PTPN1SMN1; SMN2HDAC1HDAC6PRMT5
SCHEMBL1173836 0.74 ALDH1A1 (0.52) CYP3A4SMN1; SMN2LMNAHDAC1USP2
SCHEMBL1174228 0.73 HDAC6 (0.43) SMN1; SMN2HDAC1DRD2HDAC6PRMT5
SCHEMBL1174218 0.72 HDAC6 (0.47) CYP3A4SMN1; SMN2LMNAHDAC1TSHR
SCHEMBL12869009 0.71 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHDAC1HDAC6PRMT5
SCHEMBL12868683 0.71 PTPN1 (0.53) PTPN1HDAC1DRD2KCNH2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US claimed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 PTPN1 1794/4885CYP17A1 965/4885CYP3A4 3712/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 PTPN1 1794/4885CYP17A1 965/4885CYP3A4 3712/4885

“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.