SCHEMBL8634167

SCHEMBL8634167

O=C(Cl)c1cc([N+](=O)[O-])cs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.46
ALDH1A1 P00352 6/20 0.46
TSHR P16473 2/20 0.44
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.36
PDE7A Q13946 1/20 0.36
CYP19A1 P11511 1/20 0.35
CES1 P23141 2/20 0.35
CES2 O00748 1/20 0.35
LMNA P02545 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
SCHEMBL1847472 0.82 DAO (0.48) MIFALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2789975 0.81 MAPT (0.48) MIFALDH1A1TSHRKMT2AMEN1
SCHEMBL28263654 0.81 SMN1; SMN2 (0.50) MIFALDH1A1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL8634171 0.81 DAO (0.47) MIFALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14269795 0.77 MIF (0.40) MIFALDH1A1TSHRKMT2AMEN1
SCHEMBL18430372 0.77 MIF (0.40) MIFALDH1A1TSHRKMT2AMEN1
SCHEMBL6694136 0.77 ALDH1A1 (0.56) MIFALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11213610 0.77 KMT2A (0.49) MIFALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL18430395 0.77 HDAC6 (0.49) MIFALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1844829 0.77 MIF (0.43) MIFALDH1A1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
EP-0719263-B1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES WITH ANTIARRHYTHMIC ACTIVITY SMITHKLINE BEECHAM LAB (FR) 1998-07-15 EP disclosed
WO-1996027595-A1 HETEROCYCLYCARBOXAMIDES AND OTHER COMPOUNDS FOR THE TREATMENT OF THE CARDIAC ARRHYTHMIAS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1996-09-12 WO disclosed
EP-0719263-A1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES WITH ANTIARRHYTHMIC ACTIVITY SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1996-07-03 EP disclosed
WO-1995007903-A1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES WITH ANTIARRHYTHMIC ACTIVITY SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1995-03-23 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-20110201603-A1 Novel Acylaminobenzamide Derivatives KCNB1, KCNA5, KCNA7 MIF 4865/4885ALDH1A1 271/4885TSHR 990/4885

“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.