SCHEMBL2105216

SCHEMBL2105216

O=C(Cc1ccccc1)c1cncc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 2/20 0.61
ALOX15 P16050 1/20 0.61
CASP3 P42574 2/20 0.57
POLB P06746 2/20 0.57
HCAR2 Q8TDS4 1/20 0.56
MAPT P10636 2/20 0.51
EGFR P00533 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSL P07711 1/20 0.47

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
SCHEMBL28356576 0.81 MAPT (0.55) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL4207188 0.81 MAPT (0.55) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL7169212 0.81 HTT (0.52) SMN1; SMN2HTTALOX15CASP3POLB
SCHEMBL931177 0.78 MAPT (0.57) SMN1; SMN2MAPTEGFRKDM4ENPC1
SCHEMBL16881472 0.77 KMT2A (0.62) SMN1; SMN2HTTALOX15POLBHCAR2
SCHEMBL1558714 0.77 SMN1; SMN2 (1.00) SMN1; SMN2HTTALOX15CASP3POLB
SCHEMBL5094634 0.77 KDM4E (0.67) SMN1; SMN2HTTALOX15CASP3POLB
SCHEMBL6133214 0.76 POLB (0.63) SMN1; SMN2HTTALOX15CASP3POLB
SCHEMBL2952630 0.76 HTT (1.00) SMN1; SMN2HTTALOX15POLBHCAR2
SCHEMBL6118965 0.75 POLB (0.62) SMN1; SMN2HTTALOX15CASP3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 SMN1; SMN2 3646/4885HTT 3327/4885ALOX15 1981/4885

“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.