SCHEMBL5698205

SCHEMBL5698205

O=C(Nc1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1OCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
PPARG P37231 1/20 0.56
THPO P40225 1/20 0.56
MTOR P42345 1/20 0.56
RORC P51449 1/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL28778645 0.81 CXCR2 (0.63) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL28046110 0.80 KMT2A (0.66) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL28158296 0.80 KMT2A (0.70) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL358199 0.77 ALDH1A1 (0.65) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL7691380 0.77 CYP3A4 (0.65) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL8458244 0.76 MEN1 (0.52) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL28158256 0.75 MEN1 (0.60) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL1455286 0.75 KMT2A (0.90) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL359543 0.75 MEN1 (0.72) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL27782904 0.75 KDM1A (0.64) MEN1KMT2AMAPTLMNACYP3A4

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
US-20200276140-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2020-09-03 US disclosed
EP-1401771-B1 METHOD AND PLANT FOR CONTROLLING THE COLONIZATION OF SUBMERGED STRUCTURE SURFACES BY AQUATIC FILTERING ORGANISMS CHIMEC SPA (IT) 2006-06-07 EP disclosed
EP-0682474-B1 A METHOD FOR CONTROLLING MACROINVERTEBRATES BUCKMAN LABOR INC (US) 1999-04-14 EP disclosed
US-5380762-A In aqueous systems, adding ethylenediamine dihydroiodide BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1995-01-10 US 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-20200276140-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 MEN1 3451/4885KMT2A 3619/4885MAPT 969/4885

“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.