SCHEMBL2432724

SCHEMBL2432724

COc1cc(F)cc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
MGMT P16455 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL16266200 0.93 MGMT (0.51) CYP19A1MEN1MAPTKMT2AMGMT
SCHEMBL2434368 0.88 SMN1; SMN2 (0.49) CYP19A1MEN1MAPTKMT2AHTR1A
SCHEMBL19320318 0.86 CYP19A1 (0.49) CYP19A1MEN1MAPTKMT2AMGMT
SCHEMBL2434879 0.86 CYP19A1 (0.51) CYP19A1MEN1MAPTKMT2AMGMT
SCHEMBL21685240 0.85 MGMT (0.53) CYP19A1MEN1MAPTKMT2AMGMT
SCHEMBL34476061 0.84 CYP19A1 (0.46) CYP19A1MEN1MAPTKMT2AMGMT
SCHEMBL34475063 0.83 MEN1 (0.60) CYP19A1MEN1MAPTKMT2AMGMT
SCHEMBL2434788 0.81 SMN1; SMN2 (0.47) CYP19A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2432860 0.81 ALDH1A1 (0.54) CYP19A1MEN1MAPTKMT2AHTR1A
SCHEMBL34475584 0.81 MEN1 (0.49) CYP19A1MEN1MAPTKMT2AMGMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127363-A1 TYK2 PSEUDOKINASE LIGANDS AND USES THEREOF ALEMBIC PHARMACEUTICALS LIMITED (IN) 2024-06-20 WO disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1144393-B1 BENZOXAZOLE DERIVATIVES FOR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-11 EP disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
EP-1144393-A3 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2002-09-11 EP disclosed
US-6441012-B1 BENZOXAZOLE OR BENZTHIAZOLE DERIVATIVES FOR INHIBITING THE INTERACTION BETWEEN CELLULAR ADHESION MOLECULES AND/OR FIBRONECTIN AND THE INTERGRIN RECEPTOR ASTRAZENECA AB (SE) 2002-08-27 US disclosed
EP-1144393-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2001-10-17 EP disclosed
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed
WO-2000005224-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR ASTRAZENECA AB (SE) 2000-02-03 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 CYP19A1 858/4885MEN1 1582/4885MAPT 4631/4885

“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.