SCHEMBL588596

SCHEMBL588596

CCCc1[nH]c(C=O)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
MPO P05164 1/20 0.33
TPO P07202 1/20 0.33
TSHR P16473 1/20 0.33
LPO P22079 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAS2R38 P59533 1/20 0.33
ALDH1A3 P47895 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH3A1 P30838 1/20 0.33
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL28652276 0.78 HIF1A (0.38) HIF1AEPAS1MPOTPOTSHR
SCHEMBL588074 0.78 HIF1A (0.38) HIF1AEPAS1MPOTPOTSHR
SCHEMBL15705441 0.74 HIF1A (0.38) HIF1AEPAS1MPOTPOTSHR
SCHEMBL2009527 0.69
SCHEMBL11057529 0.68 HIF1A (0.50) HIF1AEPAS1TSHR
SCHEMBL3420960 0.65 HIF1A (0.36) HIF1AEPAS1MPOTPOTSHR
SCHEMBL15971797 0.63 HCAR2 (0.34) HIF1AEPAS1MPOTPOTSHR
SCHEMBL587729 0.63 HIF1A (0.73) HIF1AEPAS1MPOTPOTSHR
SCHEMBL28091378 0.63 ALDH1A1 (0.46) ALDH1A3ALDH1A1ALDH3A1LMNA
SCHEMBL7005086 0.60 LMNA (0.37) ALDH1A3ALDH1A1ALDH3A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753746-B8 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM SPA (IT) 2012-02-15 EP disclosed
EP-1753746-B1 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM SPA (IT) 2011-07-27 EP disclosed
US-7906501-B2 Pyrrole derivatives with angiotensin II antagonist activity ROTTAPHARM S.P.A. (IT) 2011-03-15 US disclosed
US-20070244170-A1 Novel Pyrrole Derivatives with Angiotensin II Antagonist Activity ROTTAPHARM BIOTECH S.R.L. (IT) 2007-10-18 US disclosed
EP-1753746-A2 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2007-02-21 EP disclosed
WO-2005105789-A2 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2005-11-10 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-20070244170-A1 Novel Pyrrole Derivatives with Angiotensin II Antagonist Activity AGTR2, AGTR1, REN HIF1A 1072/4885EPAS1 1395/4885MPO 1813/4885

“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.