SCHEMBL8182091

SCHEMBL8182091

Brc1ccc2c(c1)-n1cnnc1CO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
PKM P14618 1/20 0.51
NPR1 P16066 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
AHR P35869 3/20 0.35
APP P05067 4/20 0.34
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
BACE1 P56817 2/20 0.32

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
SCHEMBL8197304 0.78 CTSZ (0.38) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL13377639 0.78 THRB (0.36) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL8145288 0.78 GRM5 (0.43) TSHRMAPTTHRBLMNAGABRG2
SCHEMBL13377648 0.76 BLM (0.51) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL16601607 0.73 GABRG2 (0.35) TSHRMAPTTHRBHTTGABRG2
SCHEMBL11772012 0.69 CYP11B2 (0.56) TSHRGABRG2GABRB3GABRA5CYP11B1
SCHEMBL11396361 0.64 GABRG2 (0.41) GABRG2GABRB3GABRA5CYP11B1CYP11B2
SCHEMBL4258598 0.64 TSHR (0.51) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL265087 0.64 PDE3B (0.54) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL5278269 0.64 AVPR1A (0.38) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691851-B2 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-04-06 US disclosed
US-7691851-B2 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-04-06 US disclosed
WO-2008109177-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008109181-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008109180-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221091-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221091-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 BLM 3572/4885TP53 2223/4885CYP1A2 415/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 BLM 1716/4885TP53 4098/4885CYP1A2 1246/4885
US-20080221091-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 BLM 3910/4885TP53 1974/4885CYP1A2 341/4885

“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.