SCHEMBL3228246

SCHEMBL3228246

CSc1cccc(NC(=O)c2ccc(Cl)[n+]([O-])c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CXCR2 P25025 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 4/20 0.55
LMNA P02545 3/20 0.55
TP53 P04637 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TSHR P16473 1/20 0.54
GRM4 Q14833 1/20 0.53
MAPT P10636 7/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 2/20 0.52
USP2 O75604 1/20 0.52
RECQL P46063 1/20 0.50

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
SCHEMBL3220123 0.84 CXCR2 (0.55) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL3218747 0.84 CXCR2 (0.68) MEN1KMT2ACXCR2SMN1; SMN2LMNA
SCHEMBL3221810 0.83 ADORA3 (0.63) MEN1KMT2ACXCR2SMN1; SMN2RAB9A
SCHEMBL27181188 0.82 SMN1; SMN2 (0.74) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL30926970 0.82 SMN1; SMN2 (0.74) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL3223328 0.81 CXCR2 (0.59) MEN1KMT2ACXCR2SMN1; SMN2RAB9A
SCHEMBL3217745 0.81 CXCR2 (0.59) MEN1KMT2ACXCR2SMN1; SMN2RAB9A
SCHEMBL3225340 0.81 CXCR2 (0.71) MEN1KMT2ACXCR2SMN1; SMN2RAB9A
SCHEMBL3220508 0.81 CXCR2 (0.59) MEN1KMT2ACXCR2SMN1; SMN2RAB9A
SCHEMBL3221465 0.80 NPC1 (0.65) KMT2ACXCR2SMN1; SMN2RAB9ANPC1

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 MEN1 2041/4885KMT2A 2723/4885CYP1A2 173/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT MEN1 2041/4885KMT2A 2723/4885CYP1A2 173/4885

“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.