SCHEMBL6554568

SCHEMBL6554568

CON(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
TBXA2R P21731 1/20 0.39
GUSB P08236 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
VCAM1 P19320 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL6554657 0.81 ALDH1A1 (0.43) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL6553122 0.78 POLB (0.56) CYP3A4CYP1A2CYP2C19KDM4EMEN1
SCHEMBL6828507 0.78 NHERF1 (0.49) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL6554646 0.77 ALDH1A1 (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6553699 0.77 POLB (0.46) CYP3A4CYP1A2CYP2C19KDM4EMEN1
SCHEMBL6831747 0.75 VCAM1 (0.56) KDM4EALDH1A1VCAM1HTT
SCHEMBL6828493 0.75 ALDH1A1 (0.38) CYP3A4CYP2C9KDM4EMEN1KMT2A
SCHEMBL6831311 0.74 KMT2A (0.48) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL6831203 0.72 HSD17B10 (0.53) CYP3A4ALDH1A1MAPK1SMN1; SMN2VCAM1
SCHEMBL7182288 0.69 POLB (0.56) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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
EP-1174028-B1 SULFONAMIDE DERIVATIVES SUMITOMO CHEM TAKEDA AGRO CO (JP) 2004-12-22 EP disclosed
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 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-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 CYP3A4 2134/4885CYP1A2 1110/4885CYP2D6 1538/4885

“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.