SCHEMBL1783172

SCHEMBL1783172

[2H]C([2H])([2H])Oc1cc(C(=O)OC)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CTSV O60911 4/20 0.50
CTSL P07711 4/20 0.50
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
CYP19A1 P11511 1/20 0.45
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL29444157 0.93 MEN1 (0.57) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL2063806 0.93 MEN1 (0.57) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL1013111 0.93 MEN1 (0.57) MEN1KMT2AALDH1A1CTSVCTSL
Nitric Acid SCHEMBL7007347 0.91 MEN1 (0.56) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL31151917 0.90 CTSV (0.53) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL30820477 0.88 CTSV (0.50) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL18660057 0.88 CTSV (0.50) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL874114 0.85 MEN1 (0.54) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL2089147 0.85 MEN1 (0.54) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL29729282 0.85 MEN1 (0.54) MEN1KMT2AALDH1A1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026098315-A1 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2026-05-15 WO disclosed
WO-2024235121-A1 FUSED RING COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed
US-8609673-B2 Vandetanib derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-12-17 US disclosed
US-20110117084-A1 VANDETANIB DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
WO-2009094211-A1 QUINAZOLINE COMPOUNDS AND METHODS OF TREATING CANCER CONCERT PHARMACEUTICALS INC. (US) 2009-07-30 WO disclosed
WO-2009094210-A1 VANDETANIB DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2009-07-30 WO 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-20110117084-A1 VANDETANIB DERIVATIVES KDR, VHL, FLT4 MEN1 1498/4885KMT2A 1953/4885ALDH1A1 1741/4885

“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.