SCHEMBL3217701

SCHEMBL3217701

O=C(NCc1ccccc1)c1ccc(Cl)[n+]([O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
HDAC6 Q9UBN7 2/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PPARG P37231 1/20 0.52
RAB9A P51151 1/20 0.51
CXCR2 P25025 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
APOBEC3A P31941 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
HDAC1 Q13547 1/20 0.50
ROCK2 O75116 1/20 0.49

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
SCHEMBL3230330 0.86 CXCR2 (0.67) CA2L3MBTL1LMNAPPARGCXCR2
SCHEMBL3225099 0.80 PPARG (0.55) CA2LMNAPPARGRAB9ACXCR2
SCHEMBL3217766 0.79 CXCR2 (0.73) HDAC6HDAC2HDAC8HPGDALDH1A1
SCHEMBL3218735 0.79 CACNA1B (0.58) HPGDLMNAALDH1A1RAB9AKDM4E
SCHEMBL11900090 0.78 HDAC6 (0.85) CA2HDAC6HDAC2HDAC8HPGD
SCHEMBL5226231 0.77 HDAC6 (0.72) CA2HDAC6HDAC2HDAC8L3MBTL1
SCHEMBL3230354 0.75 RAB9A (0.67) LMNAALDH1A1RAB9ACXCR2
SCHEMBL3225100 0.74 HPGDS (0.55) LMNAALDH1A1CXCR2KDM4E
SCHEMBL457082 0.74 HDAC6 (0.79) CA2HDAC6HDAC2HDAC8HPGD
SCHEMBL3224566 0.74 CXCR2 (0.57) CA2LMNAPPARGCXCR2MAPK1

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-20100063105-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES UCB SA (GB) 2010-03-11 US disclosed
US-7141590-B2 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides UCB SA (GB) 2006-11-28 US disclosed
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides DARWIN DISCOVERY LIMITED (GB) 2005-02-03 US disclosed
WO-2002053544-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES DARWIN DISCOVERY LTD. (GB) 2002-07-11 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-20100063105-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES NNT, NAPRT, NNMT CA2 1349/4885HDAC6 415/4885HDAC2 734/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT CA2 1349/4885HDAC6 415/4885HDAC2 734/4885

“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.