SCHEMBL6095029

SCHEMBL6095029

CC(C)(C)OC(=O)n1c(-n2c(CCl)nc3ccccc32)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
FAAH O00519 1/20 0.40
NR1H2 P55055 6/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39
TBXA2R P21731 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
NR1H3 Q13133 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL368032 0.88 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6FAAHNR1H2
SCHEMBL21651840 0.81 MEN1 (0.53) TBXA2RMEN1KMT2A
SCHEMBL4065436 0.81 CNR2 (0.46) CYP1A2CYP3A4CYP2D6NR1H2HDAC6
SCHEMBL14838247 0.80 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6NR1H2HDAC6
SCHEMBL14300652 0.79 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6NR1H2HDAC6
SCHEMBL21651845 0.78 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NR1H2HDAC6
SCHEMBL6951341 0.78 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NR1H2HDAC6
SCHEMBL15294552 0.77 NR1H2 (0.48) CYP1A2CYP3A4CYP2D6NR1H2HDAC6
SCHEMBL4698252 0.76 SMN1; SMN2 (0.47) NR1H2MAPTKMT2AL3MBTL1CNR2
SCHEMBL6095249 0.76 MAPT (0.47) CYP1A2CYP3A4CYP2D6NR1H2HDAC6

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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US disclosed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 CYP1A2 2306/4885CYP3A4 334/4885CYP2D6 1503/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 CYP1A2 2306/4885CYP3A4 334/4885CYP2D6 1503/4885

“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.