SCHEMBL13181783

SCHEMBL13181783

O=C1COc2c(cc(CNCl)c(F)c2F)N1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.37
IL4I1 Q96RQ9 1/20 0.37
NR3C2 P08235 4/20 0.35
NR3C1 P04150 3/20 0.35
PGR P06401 3/20 0.35
ADRB2 P07550 5/20 0.35
IDH1 O75874 1/20 0.34
ADRB1 P08588 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL14080051 0.86 IL4I1 (0.39) PARP1IL4I1NR3C2NR3C1PGR
SCHEMBL13424803 0.82 PARP1 (0.47) PARP1IL4I1NR3C2NR3C1PGR
SCHEMBL8201338 0.81 NR3C2 (0.37) PARP1IL4I1NR3C2NR3C1PGR
SCHEMBL5215313 0.81 NR3C2 (0.37) PARP1IL4I1NR3C2NR3C1PGR
SCHEMBL8197296 0.76 BRD4 (0.39) PARP1NR3C2ADRB2ADRB1
SCHEMBL8191716 0.73 PDE3B (0.41) PARP1IL4I1NR3C2NR3C1PGR
SCHEMBL13424831 0.73 MMP12 (0.45) PARP1NR3C2NR3C1PGRMAPT
SCHEMBL8190793 0.70 NR3C2 (0.37) PARP1NR3C2NR3C1PGRADRB2
SCHEMBL5217579 0.70 GAA (0.44) NR3C2NR3C1PGRADRB2MAPT
SCHEMBL21552045 0.70 PGR (0.42) IL4I1NR3C2NR3C1PGRMAPT

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-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 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 (3 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-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 PARP1 272/4885IL4I1 1478/4885NR3C2 878/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 PARP1 272/4885IL4I1 1478/4885NR3C2 878/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 PARP1 272/4885IL4I1 1478/4885NR3C2 878/4885

“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.