SCHEMBL2858710

SCHEMBL2858710

CC(C)(C)OC(=O)NCc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 1/20 0.41
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 3/20 0.41
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4A O75164 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12330621 0.86 ALOX5 (0.48) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL5413213 0.85 MEN1 (0.52) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL399470 0.85 ALOX5 (0.47) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL6681877 0.84 GNRHR (0.49) ALOX5MAPTSMN1; SMN2MMP1MMP2
SCHEMBL4610695 0.84 ALDH1A1 (0.46) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL6284900 0.83 ALDH1A1 (0.47) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL13172664 0.82 MAPT (0.45) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL31455922 0.82 MAPT (0.45) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL6676086 0.82 NPBWR1 (0.54) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL2854914 0.82 RECQL (0.46) ALOX5ITGA4ITGB7MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
EP-2202231-A1 2,3-DIHYDROIMINOISOINDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 EP disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALOX5 2807/4885ITGA4 2431/4885ITGB7 1053/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALOX5 2748/4885ITGA4 2650/4885ITGB7 1049/4885

“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.