SCHEMBL9681871

SCHEMBL9681871

Nc1cc(F)ccc1NCc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
HDAC3 O15379 2/20 0.42
NCOR1 O75376 1/20 0.42
SHMT2 P34897 1/20 0.41
AGER Q15109 1/20 0.40
HDAC1 Q13547 3/20 0.40
USP10 Q14694 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
USP13 Q92995 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
SCHEMBL14847556 0.87 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL9681343 0.84 HDAC3 (0.44) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL12658350 0.81 SHMT2 (0.48) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL16044561 0.81 AGER (0.56) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL9682901 0.81 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9681422 0.80 HDAC1 (0.40) MAPTHDAC1ALDH1A1
SCHEMBL9682993 0.80 MEN1 (0.47) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL9683331 0.80 MAP2K4 (0.52) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL13331472 0.80 MEN1 (0.47) MAPTMEN1KMT2AL3MBTL1KCNQ3
SCHEMBL9683458 0.78 SSTR3 (0.51) HDAC3NCOR1SHMT2HDAC1ALDH1A1

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 5 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-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 3739/4885MEN1 1799/4885KMT2A 2214/4885

“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.