SCHEMBL12830906

SCHEMBL12830906

O=C(O)c1c(NC(=O)C2Cc3ccc([N+](=O)[O-])cc3C2)csc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 4/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ NPY5R Q15761 1/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL15479123 0.85 ANO1 (0.42) NPY5RMEN1KMT2AHDAC1HDAC2
SCHEMBL12830896 0.85 ANO1 (0.42) NPY5RKMT2AHDAC1HDAC2
SCHEMBL12756737 0.85 NPY5R (0.48) MMP8MMP3NPY5RMEN1KMT2A
SCHEMBL1907165 0.84 ANO1 (0.50) MAPT
SCHEMBL12756733 0.79 P2RX7 (0.43) NPY5RHDAC1HDAC2ALDH1A1
SCHEMBL12756759 0.77 NPY5R (0.41) NPY5RMEN1KMT2ACNR1HDAC1
SCHEMBL12831261 0.75 KMT2A (0.48) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL12756734 0.74 NPY5R (0.39) NPY5RMEN1KMT2AHDAC1HDAC2
SCHEMBL12830489 0.74 ANO1 (0.34) NPY5RHDAC1HDAC2
SCHEMBL12756744 0.72 P2RX7 (0.40) NPY5RMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — 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 (1 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MMP8 4082/4885MMP3 4021/4885NPY5R 2598/4885

“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.

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