SCHEMBL7129116

SCHEMBL7129116

O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 1.00
MEN1 O00255 10/20 1.00
RAB9A P51151 2/20 0.68
MAPT P10636 2/20 0.60
DDIT3 P35638 2/20 0.60
NPC1 O15118 1/20 0.60
CYP3A4 P08684 2/20 0.60
MAPK1 P28482 2/20 0.60
PPARG P37231 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
PKM P14618 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60

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
SCHEMBL7120981 0.90 MEN1 (0.82) KMT2AMEN1MAPTDDIT3CYP3A4
SCHEMBL7132443 0.89 MEN1 (0.81) KMT2AMEN1RAB9AMAPTDDIT3
SCHEMBL7126991 0.86 MEN1 (0.76) KMT2AMEN1MAPTNPC1CYP3A4
SCHEMBL16919784 0.84 KMT2A (0.81) KMT2AMEN1RAB9AMAPTDDIT3
SCHEMBL7130365 0.83 KMT2A (0.71) KMT2AMEN1MAPTNPC1CYP3A4
SCHEMBL492434 0.82 KMT2A (0.74) KMT2AMEN1RAB9AMAPTDDIT3
SCHEMBL492154 0.82 KMT2A (0.69) KMT2AMEN1RAB9AMAPTDDIT3
SCHEMBL15613011 0.82 KMT2A (0.72) KMT2AMEN1RAB9ANPC1MAPK1
SCHEMBL491766 0.81 KMT2A (0.78) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL7119755 0.80 LMNA (0.69) KMT2AMEN1MAPTCYP3A4MAPK1

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-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US claimed
US-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 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-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD KMT2A 3291/4885MEN1 4865/4885RAB9A 1179/4885

“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.