SCHEMBL19639684

SCHEMBL19639684

O=C(O)N1C[C@@H]2C(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
GUSB P08236 1/20 0.44
CASP6 P55212 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
LMNA P02545 2/20 0.38
OPRM1 P35372 1/20 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
SCHEMBL17753760 0.86 MAPT (0.45) MEN1KMT2ACYP1A2ALDH1A1MAPK1
SCHEMBL19639665 0.83 ALDH1A1 (0.51) MEN1KMT2ACYP1A2ALDH1A1MAPK1
SCHEMBL5888030 0.82 MEN1 (0.46) MEN1KMT2ACYP1A2ALDH1A1MAPK1
SCHEMBL5888033 0.82 MEN1 (0.46) MEN1KMT2ACYP1A2ALDH1A1MAPK1
SCHEMBL6418177 0.81 MEN1 (0.49) MEN1KMT2ACYP1A2ALDH1A1MAPK1
SCHEMBL6418180 0.81 MEN1 (0.49) MEN1KMT2ACYP1A2ALDH1A1MAPK1
SCHEMBL19639664 0.78 KMT2A (0.46) MEN1KMT2ACYP1A2ALDH1A1MAPK1
SCHEMBL30737053 0.76 KMT2A (0.59) MEN1KMT2ACYP1A2ALDH1A1MAPK1
SCHEMBL6760015 0.74 SMN1; SMN2 (0.49) MEN1KMT2ACYP1A2ALDH1A1MAPK1
SCHEMBL20512748 0.73 MEN1 (0.44) MEN1KMT2ACYP1A2ALDH1A1MAPK1

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 MEN1 1364/4885KMT2A 165/4885CYP1A2 3848/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 MEN1 1364/4885KMT2A 165/4885CYP1A2 3848/4885

“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.