SCHEMBL7840604

SCHEMBL7840604

CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.39
MAPK1 P28482 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
VCAM1 P19320 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
USP7 Q93009 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL27559205 0.83 POLB (0.37) KMT2AMAPTMEN1MAPK1VCAM1
SCHEMBL4175674 0.81 KMT2A (0.40) KMT2AMAPTMEN1MAPK1CA12
SCHEMBL10169776 0.81 KMT2A (0.40) KMT2AMAPTMEN1MAPK1CA12
SCHEMBL9364728 0.79 TDP1 (0.51) KMT2AMAPTMEN1TSHRALDH1A1
SCHEMBL15131962 0.78 KMT2A (0.40) KMT2AMAPTMEN1MAPK1CA12
SCHEMBL5696491 0.76 ALDH1A1 (0.39) KMT2AMAPTMAPK1TSHRALDH1A1
SCHEMBL4657784 0.76 MEN1 (0.37) KMT2AMAPTMEN1MAPK1CA12
SCHEMBL8887009 0.76 KMT2A (0.44) KMT2AMEN1MAPK1TSHRALDH1A1
SCHEMBL27481885 0.75 ALDH1A1 (0.45) KMT2AMEN1TSHRALDH1A1CYP1A2
SCHEMBL750562 0.74 ALDH1A1 (0.38) KMT2AMAPK1TSHRALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 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-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 KMT2A 2992/4885MAPT 3492/4885MEN1 2168/4885

“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.