SCHEMBL7682200

SCHEMBL7682200

CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.55
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.46
PDE7A Q13946 1/20 0.45
HTT P42858 2/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CA1 P00915 1/20 0.42

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
SCHEMBL6200886 0.88 SLC9A1 (0.62) SLC9A1NPSR1ALDH1A1GALR2MITF
SCHEMBL29386167 0.86 SLC9A1 (0.63) SLC9A1NPSR1ALDH1A1GALR2MITF
SCHEMBL2309925 0.86 LMNA (0.50) SLC9A1NPSR1ALDH1A1GALR2MITF
SCHEMBL27796244 0.86 SLC9A1 (0.56) SLC9A1NPSR1ALDH1A1GALR2MITF
SCHEMBL10759973 0.86 SLC9A1 (0.63) SLC9A1NPSR1ALDH1A1GALR2MITF
SCHEMBL9846808 0.83 SMN1; SMN2 (0.48) SLC9A1NPSR1ALDH1A1GALR2MITF
SCHEMBL30763475 0.83 SMN1; SMN2 (0.48) SLC9A1NPSR1ALDH1A1GALR2MITF
SCHEMBL6593154 0.83 LMNA (0.51) SLC9A1NPSR1ALDH1A1GALR2MITF
SCHEMBL29568385 0.83 LMNA (0.51) SLC9A1NPSR1ALDH1A1GALR2MITF
SCHEMBL6354726 0.83 SLC9A1 (0.59) SLC9A1NPSR1ALDH1A1GALR2MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137929-A1 1 - (3-heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents INTELLECTUAL PROPERTY DEPARTMENT, BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 US disclosed
US-6303783-B1 1- (3-Heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents AMERICAN CYANAMID CO. 2001-10-16 US disclosed
EP-0985670-A1 1-(3-Heterocyclylphenyl)isothiourea, -isourea, -guanidine and -amidine compounds as herbicides American Cyanamid Company (US) 2000-03-15 EP 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-20020137929-A1 1 - (3-heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents IMPDH1, GANC, DDT SLC9A1 582/4885NPSR1 4145/4885ALDH1A1 137/4885

“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.