SCHEMBL19639664

SCHEMBL19639664

CN(C1[C@H]2CN(C(=O)O)C[C@@H]12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 1/20 0.44
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4A P27815 1/20 0.42
BLM P54132 1/20 0.42
PDE1B Q01064 1/20 0.42
PMP22 Q01453 1/20 0.42
PDE4B Q07343 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
SCHEMBL19639699 0.87 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL17754133 0.87 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL19639697 0.79 KMT2A (0.40) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL19639684 0.78 MEN1 (0.47) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL19639665 0.76 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL28343309 0.71 MEN1 (0.52) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL5124851 0.70 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL5124853 0.70 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL5888033 0.70 MEN1 (0.46) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL5888030 0.70 MEN1 (0.46) KMT2AMEN1ALDH1A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (2 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 KMT2A 165/4885MEN1 1364/4885ALDH1A1 1563/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 KMT2A 165/4885MEN1 1364/4885ALDH1A1 1563/4885

“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.