SCHEMBL3594880

SCHEMBL3594880

COC(=O)c1ccc(N2C[C@@H](C)N(C(=O)O)C[C@@H]2C)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 8/20 0.49
GAA P10253 1/20 0.49
VCAM1 P19320 1/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
WDR5 P61964 1/20 0.42
THRB P10828 1/20 0.42
CTPS1 P17812 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL3594876 1.00 MEN1 (0.50) MEN1KMT2AMAPTGAAVCAM1
SCHEMBL103405 0.87 KMT2A (0.46) MEN1KMT2AMAPTGAAVCAM1
SCHEMBL3604193 0.84 MEN1 (0.52) MEN1KMT2AMAPTGAAVCAM1
SCHEMBL3604196 0.84 MEN1 (0.52) MEN1KMT2AMAPTGAAVCAM1
SCHEMBL106591 0.82 ALDH1A1 (0.41) MEN1KMT2AMAPTGAAHPGD
SCHEMBL3602135 0.82 KDM4E (0.55) MAPTGAAHPGDALDH1A1KDM4E
SCHEMBL3591153 0.78 ALDH1A1 (0.38) MEN1KMT2AMAPTGAAHPGD
SCHEMBL3591150 0.78 ALDH1A1 (0.38) MEN1KMT2AMAPTGAAHPGD
SCHEMBL28028630 0.76 MEN1 (0.51) MEN1KMT2AMAPTGAAVCAM1
SCHEMBL102309 0.76 MEN1 (0.48) MEN1KMT2AMAPTGAAVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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 (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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 MEN1 3479/4885KMT2A 2327/4885MAPT 2589/4885

“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.