SCHEMBL810557

SCHEMBL810557

Nc1cc(OCc2cnc(Cl)s2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 5/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.38
PTGES2 Q9H7Z7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 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
SCHEMBL811089 0.85 MAPT (0.37) CYP1A2CYP2C9CYP2C19L3MBTL1LMNA
SCHEMBL810430 0.81 L3MBTL1 (0.52) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL2969952 0.78 KDM4E (0.47) L3MBTL1LMNAMAPTKDM4EALDH1A1
SCHEMBL15380249 0.78 CYP1A2 (0.77) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL810563 0.76 PDE7A (0.55) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL811055 0.76 MRGPRX4 (0.39) L3MBTL1LMNARAB9AMAPTKDM4E
SCHEMBL2968655 0.75 MAOB (0.51) PKM
SCHEMBL811334 0.75 CYP1A2 (0.55) CYP1A2CYP2C19KMT2AMEN1L3MBTL1
SCHEMBL810856 0.74 MAOB (0.44) CYP2C9CYP2C19KMT2AMEN1L3MBTL1
SCHEMBL811071 0.74 PARP10 (0.46) CYP1A2CYP2C9RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CYP1A2 877/4885CYP2C9 738/4885CYP2C19 1220/4885

“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.