SCHEMBL9682931

SCHEMBL9682931

O=[N+]([O-])c1cc(F)ccc1NCc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.58
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR6 P50406 1/20 0.47
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL13331973 0.89 HTR6 (0.56) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL9683008 0.86 MAPT (0.67) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL12658349 0.83 MAPT (0.53) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL9682067 0.83 MAPT (0.76) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL16043208 0.83 MAPT (0.53) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL9683146 0.83 MAPT (0.57) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL9681404 0.83 MAPT (0.56) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL13331971 0.83 GAA (0.55) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL9682000 0.83 MAPT (0.51) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL9683160 0.81 MAPT (0.54) MAPTTDP1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO disclosed
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 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-20110312969-A1 COMPOUNDS FOR TREATING CANCER BCL2, BAX, BCL2A1 MAPT 3739/4885TDP1 2523/4885MEN1 1799/4885

“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.