SCHEMBL19639698

SCHEMBL19639698

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
SSTR4 P31391 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
SCHEMBL19639665 0.87 ALDH1A1 (0.51) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL17753760 0.85 MAPT (0.45) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL17754133 0.80 ALDH1A1 (0.45) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL19639699 0.80 ALDH1A1 (0.45) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL28855536 0.74 CCR8 (0.52) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL19639684 0.71 MEN1 (0.47) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL447856 0.70 RBP4 (0.48) MAPTALDH1A1LMNA
SCHEMBL31406365 0.69 LMNA (0.53) MAPTALDH1A1LMNAHIF1AKMT2A
SCHEMBL16174305 0.68 MMP2 (0.46) MAPTALDH1A1LMNA
SCHEMBL15318711 0.68 ALDH1A1 (0.55) MAPTALDH1A1LMNASMN1; SMN2KDM4E

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 MAPT 1414/4885ALDH1A1 1563/4885LMNA 2473/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 MAPT 1414/4885ALDH1A1 1563/4885LMNA 2473/4885

“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.