SCHEMBL1358340

SCHEMBL1358340

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCCC(CO)C3)coc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GRM3 Q14832 3/20 0.34
AKR1C3 P42330 1/20 0.34
NPC1L1 Q9UHC9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 3/20 0.33
PDK2 Q15119 1/20 0.32
HTR2C P28335 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
MAPT P10636 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1360760 0.95 HTR2C (0.36) GAAAKR1C3PDK2HTR2CCYP3A4
SCHEMBL12138497 0.94 GAA (0.36) GAAAKR1C3NPC1L1MEN1KMT2A
SCHEMBL1359987 0.93 CHEK1 (0.36) GAAAKR1C3CYP3A4MAPTPARP1
SCHEMBL1360377 0.92 CHEK1 (0.34) GAAPDK2HTR2CCYP3A4
SCHEMBL1359264 0.90 CYP3A4 (0.34) GAARAB9AAKR1C3KDM4EMEN1
SCHEMBL1359797 0.90 CHEK1 (0.38) GAANPC1RAB9ANPC1L1CYP3A4
SCHEMBL1359899 0.89 CYP3A4 (0.33) GAACYP3A4
SCHEMBL1358409 0.89 ALDH1A1 (0.36) GAAKDM4EMEN1KMT2ACYP3A4
SCHEMBL1360029 0.89 ALDH1A1 (0.36) GAAKDM4EMEN1KMT2ACYP3A4
SCHEMBL1359241 0.89 ALDH1A1 (0.36) GAAKDM4EMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067442-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-29 US claimed
EP-2334662-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 US claimed
WO-2010034671-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO claimed

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-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, POLR2A, HCCS GAA 2017/4885NPC1 994/4885RAB9A 1289/4885

“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.