SCHEMBL15905004

SCHEMBL15905004

O=C(O)c1ccc(Nc2nc(NCc3ccc(Cl)cc3)nc(OCc3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.50
RORC P51449 3/20 0.49
SLC2A1 P11166 1/20 0.48
NR4A2 P43354 1/20 0.48
KCNH3 Q9ULD8 2/20 0.48
HPGD P15428 1/20 0.47
PTGS2 P35354 2/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
PLA2G1B P04054 1/20 0.46
HTT P42858 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45

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
SCHEMBL15904782 0.91 CA1 (0.53) SLC2A1KCNH3HPGDPTGS2MAPT
SCHEMBL18884953 0.90 SLC2A1 (0.48) RORCSLC2A1KCNH3HPGDPTGS2
SCHEMBL18872068 0.89 PTK2 (0.48) SLC2A1HPGDPTGS2MAPTKDM4E
SCHEMBL17247283 0.89 KCNH3 (0.61) SLC2A1KCNH3HPGDPTGS2MAPT
SCHEMBL15905225 0.89 PPARA (0.63) PPARANR4A2KCNH3POLB
SCHEMBL17247275 0.87 PTK2 (0.44) SLC2A1KCNH3HPGDPTGS2
SCHEMBL15918846 0.87 MRGPRX1 (0.45) SLC2A1KCNH3HPGDPTGS2
SCHEMBL18871873 0.85 NTRK1 (0.53) HPGDMAPTPOLBLMNAALDH1A1
SCHEMBL15905283 0.84 PTK2 (0.51) RORCKCNH3HPGDPOLBLMNA
SCHEMBL15918811 0.83 SLC6A7 (0.45) SLC2A1HPGDPTGS2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9655902-B2 Guanidine derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9655902-B2 Guanidine derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9655902-B2 Guanidine derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
EP-2948445-B1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-17 EP disclosed
EP-2948445-B1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-17 EP disclosed
EP-2948445-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2015-12-02 EP disclosed
US-20150320757-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US disclosed
US-20150320757-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US disclosed
WO-2014116768-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-31 WO disclosed
WO-2014116768-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-31 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-20150320757-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C GMPS, GANC, GUCY1A1 PPARA 2845/4885RORC 1576/4885SLC2A1 1393/4885

“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.