SCHEMBL8151024

SCHEMBL8151024

COc1ccc2c(O)cc(C(=O)NNC(=S)NC(C)C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.47
PDE3A Q14432 8/20 0.47
HPGDS O60760 1/20 0.46
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
APP P05067 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR3 P29371 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL3374397 0.78 KDM4E (0.52) PDE3BPDE3AHPGDSMAPTHPGD
SCHEMBL562343 0.76 BACE1 (0.47) PDE3BPDE3AMAPTHPGDKDM4E
SCHEMBL2908122 0.74 ALOX15 (0.50) PDE3BPDE3ANPC1HPGDRAB9A
SCHEMBL8357155 0.71 NPSR1 (0.42) PDE3BPDE3AMAPTNPC1HPGD
SCHEMBL8212649 0.69 PDE3B (0.37) PDE3BPDE3AHPGDSMAPTNPC1
SCHEMBL3336367 0.69 ALDH1A1 (0.54) MAPTL3MBTL1NPC1HPGDRAB9A
SCHEMBL14731645 0.69 HPGDS (0.37) PDE3BPDE3AHPGDSMAPTL3MBTL1
SCHEMBL12676589 0.66 KDM4E (0.37) PDE3BPDE3AMAPTHPGDKDM4E
SCHEMBL2910558 0.66 PLA2G2A (0.54) ATMHPGDKDM4EALDH1A1POLB
SCHEMBL8139912 0.66 NPSR1 (0.54) ATML3MBTL1NPC1HPGDRAB9A

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
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 PDE3B 3577/4885PDE3A 3779/4885HPGDS 2361/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDE3B 3577/4885PDE3A 3779/4885HPGDS 2361/4885

“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.