SCHEMBL19639665

SCHEMBL19639665

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CASP6 P55212 1/20 0.37
GUSB P08236 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL19639698 0.87 MAPT (0.43) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6
SCHEMBL19639684 0.83 MEN1 (0.47) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6
SCHEMBL19639664 0.76 KMT2A (0.46) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6
SCHEMBL17753760 0.71 MAPT (0.45) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6
SCHEMBL5888030 0.70 MEN1 (0.46) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6
SCHEMBL5888033 0.70 MEN1 (0.46) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6
SCHEMBL6418177 0.70 MEN1 (0.49) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6
SCHEMBL5124855 0.70 ALDH1A1 (0.51) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6
SCHEMBL6418180 0.70 MEN1 (0.49) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6
SCHEMBL6760015 0.70 SMN1; SMN2 (0.49) ALDH1A1CYP1A2MAPK1CYP3A4CYP2D6

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 ALDH1A1 1563/4885CYP1A2 3848/4885MAPK1 662/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ALDH1A1 1563/4885CYP1A2 3848/4885MAPK1 662/4885

“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.